 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Boat_STD_B3LYPDBJ-def2TZVPDr.in
 Output=27_methylindane_Boat_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/27_methylindane_Boat_STD/Gau-206658.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/27_methylindane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    206659.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=27_methylindane_Boat_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:28:21 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Boat_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.164986000000     -1.224920000000     -0.005005000000
  C                                                -2.642020000000      0.073409000000      0.146690000000
  C                                                -1.762079000000      1.153232000000      0.130794000000
  C                                                -0.405452000000      0.917524000000     -0.034454000000
  C                                                 0.074285000000     -0.384887000000     -0.186400000000
  C                                                -0.802207000000     -1.459935000000     -0.173869000000
  C                                                 1.577720000000     -0.384146000000     -0.367381000000
  C                                                 1.970002000000      1.020984000000      0.144037000000
  C                                                 0.731931000000      1.906712000000     -0.098518000000
  H                                                -2.856720000000     -2.057467000000      0.013689000000
  H                                                -3.702276000000      0.244250000000      0.283207000000
  H                                                -2.135971000000      2.162786000000      0.253773000000
  H                                                -0.437393000000     -2.473544000000     -0.286670000000
  H                                                 1.789870000000     -0.436688000000     -1.443748000000
  C                                                 2.317593000000     -1.524644000000      0.320775000000
  H                                                 2.873170000000      1.403772000000     -0.331853000000
  H                                                 2.163642000000      0.958387000000      1.218672000000
  H                                                 0.772481000000      2.369953000000     -1.090624000000
  H                                                 0.637692000000      2.716269000000      0.626868000000
  H                                                 2.108272000000     -1.526468000000      1.392826000000
  H                                                 3.396620000000     -1.425796000000      0.184958000000
  H                                                 2.021897000000     -2.495429000000     -0.081110000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:28:21 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391485   0.000000
     3  C    2.415861   1.393042   0.000000
     4  C    2.772525   2.397411   1.386832   0.000000
     5  C    2.398519   2.774761   2.416331   1.396248   0.000000
     6  C    1.393167   2.416364   2.800503   2.414366   1.387128
     7  C    3.853059   4.275492   3.710252   2.395445   1.514289
     8  C    4.707911   4.708360   3.734447   2.384396   2.383150
     9  C    4.267082   3.847684   2.615416   1.508720   2.385717
    10  H    1.082580   2.145791   3.394192   3.855075   3.380584
    11  H    2.145877   1.082574   2.147986   3.379831   3.857299
    12  H    3.397699   2.152452   1.083567   2.151383   3.401415
    13  H    2.150110   3.396344   3.883629   3.400585   2.152756
    14  H    4.281609   4.736174   4.198020   2.939292   2.127637
    15  C    4.504385   5.213621   4.883732   3.674962   2.566847
    16  H    5.692088   5.693522   4.665013   3.327799   3.324788
    17  H    5.000124   5.002671   4.078324   2.858713   2.853774
    18  H    4.767640   4.296961   3.065333   2.147690   2.982322
    19  H    4.877216   4.239315   2.906557   2.181967   3.255150
    20  H    4.506173   5.165049   4.873719   3.785371   2.816783
    21  H    5.568474   6.222078   5.767711   4.471582   3.501329
    22  H    4.376068   5.329441   5.260808   4.188371   2.873789
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.618935   0.000000
     8  C    3.733787   1.545906   0.000000
     9  C    3.700482   2.456761   1.541482   0.000000
    10  H    2.147847   4.754942   5.726351   5.348432   0.000000
    11  H    3.394638   5.356912   5.726903   4.750967   2.466882
    12  H    3.884059   4.545789   4.263188   2.900783   4.288083
    13  H    1.083151   2.903925   4.265300   4.537550   2.473152
    14  H    3.062432   1.098332   2.162942   2.901793   5.132431
    15  C    3.159432   1.523715   2.575321   3.803201   5.210731
    16  H    4.661992   2.208190   1.090280   2.211854   6.703075
    17  H    4.072310   2.158996   1.093735   2.164280   5.979247
    18  H    4.241241   2.959147   2.185901   1.095678   5.830322
    19  H    4.489451   3.388917   2.209563   1.091077   5.947727
    20  H    3.306032   2.164420   2.840441   3.988126   5.180263
    21  H    4.214270   2.167605   2.832604   4.276276   6.287496
    22  H    3.009388   2.176410   3.523996   4.587282   4.899153
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.476885   0.000000
    13  H    4.286097   4.967172   0.000000
    14  H    5.797389   5.005104   3.232385   0.000000
    15  C    6.274490   5.782375   2.976466   2.139084   0.000000
    16  H    6.705168   5.100054   5.098573   2.407726   3.051264
    17  H    5.982815   4.568181   4.561753   3.028931   2.644875
    18  H    5.140961   3.210828   5.056639   3.006162   4.421233
    19  H    5.006426   2.852849   5.378152   3.944123   4.571772
    20  H    6.174882   5.737738   3.193442   3.055348   1.092297
    21  H    7.293355   6.594863   4.002482   2.492522   1.092024
    22  H    6.356471   6.252918   2.467963   2.479724   1.091500
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.762364   0.000000
    18  H    2.433543   3.043139   0.000000
    19  H    2.763902   2.401854   1.757237   0.000000
    20  H    3.485096   2.491566   4.809777   4.555229   0.000000
    21  H    2.923619   2.876305   4.787580   4.996366   1.768875
    22  H    3.998913   3.693016   5.123680   5.438663   1.766022
                   21         22
    21  H    0.000000
    22  H    1.762036   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.53D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3914598           1.2314279           0.8455004
 Leave Link  202 at Thu Jul 22 20:28:21 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   538 symmetry adapted cartesian basis functions of A   symmetry.
 There are   478 symmetry adapted basis functions of A   symmetry.
   478 basis functions,   712 primitive gaussians,   538 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       504.1844683919 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0407868148 Hartrees.
 Nuclear repulsion after empirical dispersion term =      504.1436815771 Hartrees.
 Leave Link  301 at Thu Jul 22 20:28:22 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   478 RedAO= T EigKep=  1.11D-06  NBF=   478
 NBsUse=   476 1.00D-06 EigRej=  7.27D-07 NBFU=   476
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Thu Jul 22 20:28:22 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:28:23 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Boat_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:28:23 2021, MaxMem=  5637144576 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636556634 LenY=  5636266652
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -388.484356455217    
 DIIS: error= 1.70D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -388.484356455217     IErMin= 1 ErrMin= 1.70D-03
 ErrMax= 1.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-03 BMatP= 2.43D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.70D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.225 Goal=   None    Shift=    0.000
 GapD=    0.225 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.16D-03 MaxDP=7.89D-01              OVMax= 1.15D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.15D-03    CP:  1.06D+00
 E= -388.485395987675     Delta-E=       -0.001039532459 Rises=F Damp=F
 DIIS: error= 4.90D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -388.485395987675     IErMin= 2 ErrMin= 4.90D-05
 ErrMax= 4.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-06 BMatP= 2.43D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.772D-02 0.101D+01
 Coeff:     -0.772D-02 0.101D+01
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=2.75D-04 MaxDP=2.82D-02 DE=-1.04D-03 OVMax= 7.92D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.39D-04    CP:  1.06D+00  1.03D+00
 E= -388.485397801962     Delta-E=       -0.000001814286 Rises=F Damp=F
 DIIS: error= 6.19D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -388.485397801962     IErMin= 2 ErrMin= 4.90D-05
 ErrMax= 6.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-06 BMatP= 2.39D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.448D-02 0.499D+00 0.505D+00
 Coeff:     -0.448D-02 0.499D+00 0.505D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=1.45D-05 MaxDP=1.27D-03 DE=-1.81D-06 OVMax= 3.71D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  1.06D+00  1.03D+00  1.02D+00
 E= -388.485400072101     Delta-E=       -0.000002270140 Rises=F Damp=F
 DIIS: error= 1.28D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -388.485400072101     IErMin= 4 ErrMin= 1.28D-05
 ErrMax= 1.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.34D-08 BMatP= 2.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.277D-03 0.144D-01 0.158D+00 0.828D+00
 Coeff:     -0.277D-03 0.144D-01 0.158D+00 0.828D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=6.06D-06 MaxDP=4.42D-04 DE=-2.27D-06 OVMax= 1.13D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.53D-06    CP:  1.06D+00  1.04D+00  1.05D+00  8.67D-01
 E= -388.485400129294     Delta-E=       -0.000000057193 Rises=F Damp=F
 DIIS: error= 7.31D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -388.485400129294     IErMin= 5 ErrMin= 7.31D-06
 ErrMax= 7.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-08 BMatP= 8.34D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.680D-04-0.180D-01 0.743D-01 0.516D+00 0.427D+00
 Coeff:      0.680D-04-0.180D-01 0.743D-01 0.516D+00 0.427D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=9.47D-07 MaxDP=5.09D-05 DE=-5.72D-08 OVMax= 8.22D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.96D-07    CP:  1.06D+00  1.04D+00  1.05D+00  8.55D-01  9.95D-01
 E= -388.485400158393     Delta-E=       -0.000000029099 Rises=F Damp=F
 DIIS: error= 1.46D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -388.485400158393     IErMin= 6 ErrMin= 1.46D-06
 ErrMax= 1.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-09 BMatP= 3.01D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.547D-04-0.106D-01 0.290D-01 0.212D+00 0.244D+00 0.527D+00
 Coeff:      0.547D-04-0.106D-01 0.290D-01 0.212D+00 0.244D+00 0.527D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=2.77D-07 MaxDP=9.56D-06 DE=-2.91D-08 OVMax= 1.88D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.40D-07    CP:  1.06D+00  1.04D+00  1.05D+00  8.48D-01  1.02D+00
                    CP:  9.27D-01
 E= -388.485400159954     Delta-E=       -0.000000001561 Rises=F Damp=F
 DIIS: error= 4.06D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -388.485400159954     IErMin= 7 ErrMin= 4.06D-07
 ErrMax= 4.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-10 BMatP= 1.39D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.188D-04-0.316D-02 0.557D-02 0.401D-01 0.711D-01 0.265D+00
 Coeff-Com:  0.621D+00
 Coeff:      0.188D-04-0.316D-02 0.557D-02 0.401D-01 0.711D-01 0.265D+00
 Coeff:      0.621D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=1.14D-05 DE=-1.56D-09 OVMax= 1.78D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.34D-08    CP:  1.06D+00  1.04D+00  1.05D+00  8.47D-01  1.04D+00
                    CP:  9.66D-01  9.92D-01
 E= -388.485400160068     Delta-E=       -0.000000000113 Rises=F Damp=F
 DIIS: error= 5.11D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -388.485400160068     IErMin= 8 ErrMin= 5.11D-08
 ErrMax= 5.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-12 BMatP= 1.01D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.330D-05-0.484D-03 0.429D-03 0.206D-02 0.110D-01 0.666D-01
 Coeff-Com:  0.214D+00 0.707D+00
 Coeff:      0.330D-05-0.484D-03 0.429D-03 0.206D-02 0.110D-01 0.666D-01
 Coeff:      0.214D+00 0.707D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=2.32D-08 MaxDP=1.56D-06 DE=-1.13D-10 OVMax= 4.68D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.43D-08    CP:  1.06D+00  1.04D+00  1.05D+00  8.46D-01  1.04D+00
                    CP:  9.74D-01  9.89D-01  9.65D-01
 E= -388.485400160094     Delta-E=       -0.000000000027 Rises=F Damp=F
 DIIS: error= 1.41D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -388.485400160094     IErMin= 9 ErrMin= 1.41D-08
 ErrMax= 1.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-13 BMatP= 2.83D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.457D-06-0.452D-04-0.101D-03-0.103D-02 0.125D-02 0.142D-01
 Coeff-Com:  0.571D-01 0.283D+00 0.646D+00
 Coeff:      0.457D-06-0.452D-04-0.101D-03-0.103D-02 0.125D-02 0.142D-01
 Coeff:      0.571D-01 0.283D+00 0.646D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=4.66D-09 MaxDP=3.38D-07 DE=-2.68D-11 OVMax= 1.16D-07

 SCF Done:  E(RB3LYP) =  -388.485400160     A.U. after    9 cycles
            NFock=  9  Conv=0.47D-08     -V/T= 2.0055
 KE= 3.863526625215D+02 PE=-1.908403848427D+03 EE= 6.294221041683D+02
 Leave Link  502 at Thu Jul 22 20:31:57 2021, MaxMem=  5637144576 cpu:            1706.1 elap:             213.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   476
 NBasis=   478 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    476 NOA=    36 NOB=    36 NVA=   440 NVB=   440

 **** Warning!!: The largest alpha MO coefficient is  0.14733373D+03

 Leave Link  801 at Thu Jul 22 20:31:58 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6655 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.64D-13 8.33D-09 XBig12= 1.00D+00 5.42D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.64D-13 8.33D-09 XBig12= 4.28D-01 1.11D-01.
     11 vectors produced by pass  2 Test12= 2.64D-13 8.33D-09 XBig12= 6.13D-02 6.68D-02.
     11 vectors produced by pass  3 Test12= 2.64D-13 8.33D-09 XBig12= 3.62D-03 1.78D-02.
     11 vectors produced by pass  4 Test12= 2.64D-13 8.33D-09 XBig12= 7.54D-04 4.93D-03.
     11 vectors produced by pass  5 Test12= 2.64D-13 8.33D-09 XBig12= 2.64D-05 7.84D-04.
     11 vectors produced by pass  6 Test12= 2.64D-13 8.33D-09 XBig12= 5.44D-07 1.23D-04.
     11 vectors produced by pass  7 Test12= 2.64D-13 8.33D-09 XBig12= 6.35D-09 1.64D-05.
     11 vectors produced by pass  8 Test12= 2.64D-13 8.33D-09 XBig12= 5.97D-11 1.31D-06.
      6 vectors produced by pass  9 Test12= 2.64D-13 8.33D-09 XBig12= 6.36D-13 1.10D-07.
      2 vectors produced by pass 10 Test12= 2.64D-13 8.33D-09 XBig12= 1.01D-14 1.12D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.150095D+03
      2  0.203716D+01  0.130704D+03
      3 -0.375201D+01  0.143328D+01  0.816134D+02
 Isotropic polarizability for W=    0.085645      120.80 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.787551D+02 -0.172570D+02  0.146522D+02
      2   0.406544D+02  0.277669D+01 -0.142564D+02
      3   0.381007D+02  0.144803D+02 -0.395745D+00
      4  -0.293591D+02 -0.335629D+02 -0.114996D+02
      5   0.147162D+02 -0.148544D+02  0.335853D+02
      6  -0.829168D+01 -0.157976D+01  0.839143D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.532609D+00  0.120615D+01  0.198913D+01
      2   0.108306D+02 -0.621173D+01  0.131311D+02
      3   0.100739D+01  0.341794D+02  0.559151D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.335478D+01  0.126767D+02  0.136411D+02
      2  -0.640523D-01 -0.320794D+01 -0.451537D+01
      3  -0.121022D+02  0.742173D+02  0.656272D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.114881D+01 -0.143261D+01 -0.556757D+00
      2  -0.143261D+01  0.226007D+01 -0.311488D+01
      3  -0.556757D+00 -0.311488D+01 -0.119888D+01
 OR G Eigenvalues:    -3.6443    -0.7106     4.2672  Iso=     0.0292
 Eigenvectors:
   (1)   0.451714   0.499564   0.739182
   (2)   0.873921  -0.081075  -0.479259
   (3)  -0.179492   0.862475  -0.473202
 w=    0.085645 a.u., Optical Rotation Beta=      0.0292 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =       10.48 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  114481 ScalPx= 6.11D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  114481 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.20D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.40D-14 2.78D-09 XBig12= 1.00D+00 4.82D-01.
     30 vectors produced by pass  1 Test12= 4.40D-14 2.78D-09 XBig12= 3.95D-02 3.19D-02.
     30 vectors produced by pass  2 Test12= 4.40D-14 2.78D-09 XBig12= 7.54D-04 4.50D-03.
     30 vectors produced by pass  3 Test12= 4.40D-14 2.78D-09 XBig12= 1.42D-05 4.53D-04.
     30 vectors produced by pass  4 Test12= 4.40D-14 2.78D-09 XBig12= 1.13D-07 5.26D-05.
     30 vectors produced by pass  5 Test12= 4.40D-14 2.78D-09 XBig12= 9.20D-10 3.27D-06.
     30 vectors produced by pass  6 Test12= 4.40D-14 2.78D-09 XBig12= 3.66D-12 2.46D-07.
     10 vectors produced by pass  7 Test12= 4.40D-14 2.78D-09 XBig12= 9.41D-15 1.49D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  114481 ScalPx= 4.28D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  114481 ScalPx= 4.28D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  114481 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.59D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150095D+03  0.203716D+01 -0.375201D+01
      2   0.203716D+01  0.130704D+03  0.143328D+01
      3  -0.375201D+01  0.143328D+01  0.816134D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.532609D+00  0.120615D+01  0.198913D+01
      2   0.108306D+02 -0.621173D+01  0.131311D+02
      3   0.100739D+01  0.341794D+02  0.559151D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.787551D+02 -0.172570D+02  0.146522D+02
      2   0.406544D+02  0.277669D+01 -0.142564D+02
      3   0.381007D+02  0.144803D+02 -0.395745D+00
      4  -0.293591D+02 -0.335629D+02 -0.114996D+02
      5   0.147162D+02 -0.148544D+02  0.335853D+02
      6  -0.829168D+01 -0.157976D+01  0.839143D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.918990D+00 -0.110507D+01 -0.838668D+00 -0.606693D+01 -0.117270D+00
      2  -0.110507D+01 -0.267575D+01 -0.734057D+00 -0.117270D+00 -0.231148D+01
      3  -0.838668D+00 -0.734057D+00 -0.154595D+01  0.726947D+00  0.538247D+00
                 6             7             8             9            10 
      1   0.726947D+00 -0.148001D+01 -0.968360D-01 -0.365682D+01 -0.534091D+01
      2   0.538247D+00 -0.968360D-01  0.501832D+00 -0.395082D+01  0.880291D+00
      3  -0.274066D+01 -0.365682D+01 -0.395082D+01  0.681326D-01 -0.573913D+00
                11            12            13            14            15 
      1   0.880291D+00 -0.573913D+00  0.210221D+01  0.270928D+01  0.165845D+00
      2  -0.288501D+01 -0.434922D-01  0.270928D+01  0.237039D+01 -0.460821D+00
      3  -0.434922D-01 -0.279626D+01  0.165845D+00 -0.460821D+00  0.872797D+00
                16            17            18            19            20 
      1  -0.582276D+00  0.647918D+00 -0.557359D+01  0.114829D+01 -0.343752D+01
      2   0.647918D+00  0.291847D+00  0.721820D+00 -0.343752D+01 -0.380588D+01
      3  -0.557359D+01  0.721820D+00  0.144512D+01 -0.220396D+00  0.593788D+00
                21            22            23            24            25 
      1  -0.220396D+00  0.558090D+01 -0.524908D+00 -0.100563D+00  0.429827D+00
      2   0.593788D+00 -0.524908D+00  0.549128D+00 -0.469094D+00  0.978613D+00
      3  -0.485127D+00 -0.100563D+00 -0.469094D+00  0.244507D+01 -0.252707D+01
                26            27            28            29            30 
      1   0.978613D+00 -0.252707D+01  0.867551D+00  0.314875D+01 -0.402559D+00
      2  -0.505761D+00  0.364786D+01  0.314875D+01  0.733378D+01 -0.190746D+00
      3   0.364786D+01  0.150706D+01 -0.402559D+00 -0.190746D+00  0.169197D+01
                31            32            33            34            35 
      1   0.130765D+02  0.455656D+01 -0.114015D+01  0.171330D+01 -0.367064D+00
      2   0.455656D+01  0.719347D+01 -0.626522D+00 -0.367064D+00 -0.292452D+00
      3  -0.114015D+01 -0.626522D+00  0.152612D+01  0.157442D+01  0.299965D+01
                36            37            38            39            40 
      1   0.157442D+01  0.171995D+02 -0.189815D+01 -0.226849D+01 -0.643511D+01
      2   0.299965D+01 -0.189815D+01  0.409830D+01  0.527706D-01 -0.326834D+01
      3  -0.312415D-02 -0.226849D+01  0.527706D-01  0.231125D+01  0.151410D-01
                41            42            43            44            45 
      1  -0.326834D+01  0.151410D-01 -0.172789D+01 -0.513357D+00  0.322223D+01
      2  -0.741422D+00  0.545171D+00 -0.513357D+00  0.352511D+00 -0.834000D+00
      3   0.545171D+00  0.278600D+00  0.322223D+01 -0.834000D+00 -0.128655D+01
                46            47            48            49            50 
      1  -0.243075D+01  0.362712D+01  0.363120D+00 -0.643564D+01  0.678319D+00
      2   0.362712D+01  0.239353D+01 -0.363780D+00  0.678319D+00 -0.201801D+01
      3   0.363120D+00 -0.363780D+00  0.927031D+00  0.233869D+00  0.445558D+00
                51            52            53            54            55 
      1   0.233869D+00  0.218527D+00 -0.428881D+00  0.359577D+00 -0.554653D+01
      2   0.445558D+00 -0.428881D+00  0.652117D-01 -0.417751D+01  0.284765D+01
      3  -0.233323D+01  0.359577D+00 -0.417751D+01 -0.133675D+01  0.146130D+01
                56            57            58            59            60 
      1   0.284765D+01  0.146130D+01  0.346339D+01 -0.368684D+01  0.289468D+00
      2  -0.248632D+01  0.265736D+00 -0.368684D+01 -0.207031D+01 -0.164875D+01
      3   0.265736D+00 -0.241816D+01  0.289468D+00 -0.164875D+01  0.752210D+00
                61            62            63            64            65 
      1   0.396119D+01  0.178738D+00 -0.364855D+01 -0.479251D+01 -0.403589D+01
      2   0.178738D+00 -0.234382D+01  0.399258D+00 -0.403589D+01  0.132044D+01
      3  -0.364855D+01  0.399258D+00  0.916179D+01  0.225372D+01  0.729659D+00
                66            67            68            69            70 
      1   0.225372D+01 -0.392071D+01  0.673384D+00  0.955705D+00  0.396079D+01
      2   0.729659D+00  0.673384D+00  0.269997D+01  0.139762D+01  0.184388D+01
      3  -0.148642D+01  0.955705D+00  0.139762D+01  0.471997D+00 -0.270102D+01
                71            72            73            74            75 
      1   0.184388D+01 -0.270102D+01 -0.253336D+01  0.538715D+00 -0.626909D-01
      2   0.164625D+01  0.876553D-01  0.538715D+00 -0.269450D+01  0.107105D+01
      3   0.876553D-01 -0.646467D+01 -0.626909D-01  0.107105D+01 -0.204586D+00
                76            77            78            79            80 
      1  -0.253575D+00 -0.444256D+01  0.112827D+01  0.936687D+00  0.216178D+01
      2  -0.444256D+01 -0.902812D+01 -0.363880D+00  0.216178D+01  0.397237D+00
      3   0.112827D+01 -0.363880D+00 -0.377756D+01 -0.160670D+01 -0.643242D+01
                81            82            83            84            85 
      1  -0.160670D+01 -0.580445D+01 -0.440150D+01  0.208547D+00 -0.418180D+01
      2  -0.643242D+01 -0.440150D+01 -0.377124D+01  0.184855D+00 -0.493138D+01
      3   0.365127D+01  0.208547D+00  0.184855D+00 -0.492599D+00 -0.474183D-01
                86            87            88            89            90 
      1  -0.493138D+01 -0.474183D-01  0.352313D+00  0.170438D+00  0.500278D-01
      2  -0.680063D+01  0.340299D-04  0.170438D+00 -0.283779D-01  0.328091D-01
      3   0.340299D-04 -0.573365D+00  0.500278D-01  0.328091D-01 -0.230028D-02
                91            92            93            94            95 
      1  -0.136938D+02  0.139794D+01  0.145993D+01  0.153566D+01 -0.183193D+01
      2   0.139794D+01 -0.789794D+00 -0.163382D+00 -0.183193D+01  0.538439D+00
      3   0.145993D+01 -0.163382D+00 -0.912958D+00 -0.298131D+00  0.207852D+00
                96            97            98            99           100 
      1  -0.298131D+00  0.170518D+01 -0.321053D+00 -0.105951D+00 -0.227621D+01
      2   0.207852D+00 -0.321053D+00  0.182609D+00  0.524100D-01  0.254036D+01
      3   0.156978D+00 -0.105951D+00  0.524100D-01  0.119368D+00  0.366553D+00
               101           102           103           104           105 
      1   0.254036D+01  0.366553D+00  0.241633D+01 -0.388133D+01 -0.414632D+00
      2  -0.278025D+01 -0.413047D+00 -0.388133D+01  0.935467D+01  0.993826D+00
      3  -0.413047D+00 -0.398509D+00 -0.414632D+00  0.993826D+00  0.842509D+00
               106           107           108           109           110 
      1   0.324619D+00 -0.563048D+00 -0.127093D+00  0.129621D+01 -0.168932D+01
      2  -0.563048D+00  0.116109D+01  0.227973D+00 -0.168932D+01  0.200548D+01
      3  -0.127093D+00  0.227973D+00  0.930034D-01 -0.141625D+00  0.316037D+00
               111           112           113           114           115 
      1  -0.141625D+00 -0.125328D+01  0.174868D+01  0.137068D+00 -0.211554D+00
      2   0.316037D+00  0.174868D+01 -0.956642D+01 -0.973245D+00  0.264504D+00
      3   0.165985D+00  0.137068D+00 -0.973245D+00 -0.780305D+00 -0.479609D-01
               116           117           118           119           120 
      1   0.264504D+00 -0.479609D-01  0.331623D+01 -0.690547D+00 -0.218227D+01
      2  -0.933633D+00 -0.119983D+00 -0.690547D+00  0.747345D+00  0.123340D+00
      3  -0.119983D+00 -0.168733D+00 -0.218227D+01  0.123340D+00  0.197577D+01
               121           122           123           124           125 
      1  -0.116420D+01  0.171651D+01  0.877824D-01 -0.635597D+01  0.629375D+00
      2   0.171651D+01 -0.431361D+00 -0.971988D+00  0.629375D+00 -0.123176D+01
      3   0.877824D-01 -0.971988D+00 -0.369180D+00  0.428123D+01 -0.723583D+00
               126           127           128           129           130 
      1   0.428123D+01 -0.817541D+01 -0.729985D+00  0.143741D+01 -0.441492D+01
      2  -0.723583D+00 -0.729985D+00  0.313313D+01 -0.423468D+00  0.328039D+01
      3  -0.973343D+01  0.143741D+01 -0.423468D+00  0.175682D+01 -0.534082D+00
               131           132           133           134           135 
      1   0.328039D+01 -0.534082D+00  0.229833D+01 -0.126654D+01  0.979775D+00
      2   0.295592D+01  0.279941D+01 -0.126654D+01  0.333867D+01  0.833473D+00
      3   0.279941D+01  0.123922D-01  0.979775D+00  0.833473D+00 -0.654501D+01
               136           137           138           139           140 
      1   0.962786D+01  0.348038D+01 -0.183467D+01  0.299413D+01  0.226716D+01
      2   0.348038D+01  0.200966D+01 -0.659793D+00  0.226716D+01  0.167237D+01
      3  -0.183467D+01 -0.659793D+00  0.134259D+01 -0.638375D+00 -0.779951D+00
               141           142           143           144           145 
      1  -0.638375D+00 -0.425797D+01 -0.149692D+01  0.224742D+01  0.161310D+01
      2  -0.779951D+00 -0.149692D+01 -0.136102D+01  0.897710D+00  0.571992D+00
      3   0.489968D+00  0.224742D+01  0.897710D+00 -0.758299D+00  0.136584D+01
               146           147           148           149           150 
      1   0.571992D+00  0.136584D+01  0.132763D+00  0.483571D+00 -0.179841D+00
      2  -0.183832D-01  0.181932D+00  0.483571D+00 -0.115382D+00  0.680796D+00
      3   0.181932D+00  0.916177D+00 -0.179841D+00  0.680796D+00 -0.437053D+00
               151           152           153           154           155 
      1   0.223392D+01  0.560506D-01  0.304662D+01  0.127907D+01  0.939853D+00
      2   0.560506D-01  0.145439D+01  0.668039D+00  0.939853D+00  0.371961D+00
      3   0.304662D+01  0.668039D+00  0.746421D+01 -0.103027D+01 -0.420127D+00
               156           157           158           159           160 
      1  -0.103027D+01  0.107245D+01  0.201959D+01 -0.711521D+00 -0.315453D+01
      2  -0.420127D+00  0.201959D+01  0.588512D+01 -0.278547D+01 -0.241988D+01
      3   0.403768D+00 -0.711521D+00 -0.278547D+01  0.238384D+01  0.164931D+01
               161           162           163           164           165 
      1  -0.241988D+01  0.164931D+01 -0.379919D+00  0.660106D+00  0.727658D+00
      2  -0.573084D+01  0.522962D+01  0.660106D+00 -0.861270D+00 -0.204097D+00
      3   0.522962D+01 -0.648046D+01  0.727658D+00 -0.204097D+00 -0.186085D+00
               166           167           168           169           170 
      1   0.147696D+01  0.144114D+01  0.225409D+00  0.958004D+00  0.302233D+00
      2   0.144114D+01  0.923114D+01  0.278356D+01  0.302233D+00  0.487251D+01
      3   0.225409D+00  0.278356D+01  0.207064D+01  0.608069D+00  0.364928D+01
               171           172           173           174           175 
      1   0.608069D+00  0.158260D+00  0.763867D-01  0.642346D+00  0.713275D+00
      2   0.364928D+01  0.763867D-01 -0.729224D+00  0.252093D+00 -0.254120D+00
      3   0.202587D+01  0.642346D+00  0.252093D+00 -0.119516D+01  0.111764D+00
               176           177           178           179           180 
      1  -0.254120D+00  0.111764D+00  0.160899D+01 -0.611006D+00  0.735584D+00
      2  -0.557187D+00  0.637274D+00 -0.611006D+00  0.156387D+01 -0.144039D+01
      3   0.637274D+00 -0.434394D-02  0.735584D+00 -0.144039D+01  0.771278D+01
               181           182           183           184           185 
      1   0.132830D+02 -0.212590D+01 -0.260480D+00  0.886228D+00  0.869866D+00
      2  -0.212590D+01  0.144980D+01 -0.745148D-01  0.869866D+00 -0.448564D+00
      3  -0.260480D+00 -0.745148D-01  0.106479D+01  0.768948D-01 -0.350718D+00
               186           187           188           189           190 
      1   0.768948D-01 -0.176949D+01  0.377941D+00  0.127784D+01  0.265692D+00
      2  -0.350718D+00  0.377941D+00 -0.768405D+00 -0.279956D+00 -0.595667D+00
      3   0.123558D+00  0.127784D+01 -0.279956D+00  0.107324D+00 -0.470401D+00
               191           192           193           194           195 
      1  -0.595667D+00 -0.470401D+00 -0.132461D+01  0.494238D+00 -0.894506D-01
      2  -0.136580D+01 -0.807592D-01  0.494238D+00 -0.836174D+01 -0.159891D+01
      3  -0.807592D-01 -0.434341D+00 -0.894506D-01 -0.159891D+01 -0.141099D+01
               196           197           198 
      1  -0.116198D+01  0.473118D+00 -0.373428D-01
      2   0.473118D+00 -0.263198D+01 -0.148889D+01
      3  -0.373428D-01 -0.148889D+01 -0.576594D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.129806D+01 -0.177674D+00 -0.432900D+01  0.117345D+01  0.154319D+00
      2   0.696150D+00  0.111715D+01  0.320694D+01 -0.314194D+00 -0.562689D+00
      3  -0.694403D+01 -0.124175D+02 -0.271615D+00  0.848865D+01 -0.297554D+01
                 6             7             8             9            10 
      1  -0.165923D+01 -0.837875D+01  0.360137D+01  0.152249D+01  0.514846D+00
      2   0.704437D+01 -0.240274D+01  0.120070D+02  0.120695D+01  0.139527D+00
      3   0.157213D+00  0.114657D+01  0.208149D+01 -0.568361D+01  0.436413D+01
                11            12            13            14            15 
      1   0.450034D+00  0.725096D+00  0.121762D+01 -0.133576D+01  0.250895D+01
      2  -0.263631D+00  0.880384D+01 -0.222944D+01 -0.358269D+00 -0.142950D+01
      3  -0.937355D+01 -0.108069D+00  0.129645D+02  0.386462D+01 -0.179187D+01
                16            17            18            19            20 
      1   0.233328D+01  0.123367D+02  0.102820D+01  0.133739D+01 -0.878573D+00
      2   0.880829D+01 -0.331688D+01 -0.312687D+01  0.700791D+00 -0.629676D-01
      3   0.107437D+01 -0.231543D+00  0.242400D+01 -0.324722D+01 -0.158928D+02
                21            22            23            24            25 
      1  -0.408370D+00 -0.115303D+01  0.461783D+00 -0.284379D+01  0.409081D+01
      2  -0.917407D+00  0.100743D+01  0.172538D+01 -0.641313D+01 -0.954488D+01
      3  -0.783523D+00 -0.427511D+00  0.877962D+00 -0.288911D+00  0.106411D+01
                26            27            28            29            30 
      1   0.244864D+01 -0.242478D+00 -0.190532D+01  0.192474D+01 -0.102673D+01
      2  -0.106817D+02 -0.936079D+00 -0.334113D+01 -0.157150D+01 -0.865033D+00
      3   0.113367D+01  0.574819D+01 -0.357093D+01  0.567990D+01  0.165000D+01
                31            32            33            34            35 
      1   0.222790D+01  0.705565D+00 -0.137658D+01 -0.282898D+01  0.658015D+01
      2   0.166030D+01 -0.236824D+01 -0.970339D+00 -0.154927D+02 -0.123992D+01
      3   0.972442D+01  0.231859D+02 -0.139808D+01  0.321667D+01 -0.147198D+01
                36            37            38            39            40 
      1   0.432420D+00  0.904927D+00  0.169357D+01  0.129416D+01  0.246644D+01
      2   0.152775D+01 -0.208243D+01 -0.141448D+01  0.115672D+00 -0.891792D+00
      3   0.344987D+01 -0.910401D+01  0.122941D+02  0.175315D+01  0.110340D+02
                41            42            43            44            45 
      1  -0.164080D+00 -0.467403D+00  0.369901D+01  0.105084D+02 -0.283811D+00
      2   0.495360D+00  0.460282D+00 -0.132990D+02  0.531886D+00  0.125443D+01
      3  -0.757820D+01 -0.149911D+01 -0.754495D+00 -0.607983D+01 -0.248209D+01
                46            47            48            49            50 
      1   0.411450D+00 -0.552897D+00  0.402579D+01 -0.633439D+00 -0.107710D+01
      2  -0.280260D+01  0.204368D+01 -0.244836D+01 -0.747597D-01  0.829504D+00
      3   0.103385D+02 -0.380095D+01 -0.256056D+01  0.714426D+01 -0.703012D+01
                51            52            53            54            55 
      1  -0.336581D+01  0.475869D+01  0.768347D+00 -0.193230D+01 -0.153306D+01
      2   0.193295D+01 -0.147506D+02  0.202519D+01  0.233641D+01 -0.369486D+00
      3   0.491406D-01 -0.452399D+01  0.103507D+01 -0.557535D+01 -0.225495D+01
                56            57            58            59            60 
      1   0.216637D+01 -0.143395D+01  0.299085D+01 -0.117114D+01 -0.127507D+01
      2   0.121139D+01 -0.152759D+01  0.155317D+01 -0.598326D+01  0.111142D+01
      3  -0.291086D+01 -0.130143D+01  0.128570D+02  0.795853D+01  0.437468D+01
                61            62            63            64            65 
      1  -0.339656D+01  0.630463D+01  0.342757D+01 -0.349118D+01 -0.117173D+01
      2  -0.110692D+02  0.831465D+00  0.141747D+02  0.747902D+01  0.359054D+01
      3  -0.406965D+01  0.778988D+01  0.191396D+01  0.876332D+01 -0.134446D+02
                66            67            68            69            70 
      1   0.184915D+01 -0.164844D+01 -0.357641D+01 -0.240477D+01  0.438405D+01
      2  -0.216746D+01  0.434785D+01  0.341812D+01  0.538608D+00 -0.126017D+02
      3   0.164343D+01 -0.858926D+01 -0.531426D+01 -0.344882D+01  0.118965D+01
                71            72            73            74            75 
      1   0.190871D+01  0.592067D+01  0.582543D+00 -0.299757D+01 -0.145599D-01
      2  -0.159225D+01 -0.128772D+02 -0.134232D+01  0.121054D+01  0.159212D+01
      3  -0.471299D+01 -0.329430D+01 -0.826044D+01  0.714317D+00 -0.139639D+01
                76            77            78            79            80 
      1  -0.765399D+00  0.503219D+01  0.742319D+01  0.641742D+01  0.233754D+02
      2   0.301734D+00  0.512434D+00 -0.254964D+01 -0.577946D+01 -0.623103D+01
      3   0.134137D+02 -0.669237D+01  0.385556D+01 -0.691530D+00  0.835621D+01
                81            82            83            84            85 
      1  -0.681902D+01  0.351285D+00  0.379097D+00 -0.240106D+01 -0.136622D+00
      2   0.310091D+01 -0.738087D+00 -0.746931D+00  0.302907D+01 -0.328138D-01
      3   0.148299D+01 -0.137941D+01 -0.483110D+01  0.298044D+00 -0.378440D+01
                86            87            88            89            90 
      1  -0.424242D-01 -0.319544D+01  0.111552D+01  0.152502D+01  0.481411D-01
      2  -0.196735D+00  0.301001D+01 -0.121209D+01 -0.108564D+01 -0.112291D+00
      3  -0.109612D+02  0.102862D+00 -0.309921D+00 -0.710067D+00  0.207088D+00
                91            92            93            94            95 
      1   0.356447D-01 -0.438720D+00  0.645995D+00 -0.236261D+00  0.151831D+00
      2  -0.209888D+01  0.252177D+00  0.616254D+01  0.733755D+00 -0.454102D+00
      3   0.235939D+01 -0.536155D+01 -0.308637D+00 -0.441734D+01  0.185831D+01
                96            97            98            99           100 
      1  -0.445822D+00 -0.501710D+00  0.352561D+00 -0.863322D-01 -0.980735D-01
      2  -0.907297D+00 -0.249695D+01  0.451408D+00 -0.576025D+00 -0.418428D+00
      3   0.598084D+00 -0.486744D+00  0.663691D+00 -0.105068D+00  0.968780D+00
               101           102           103           104           105 
      1   0.191115D+00  0.162430D+01  0.594193D-01  0.424814D+00 -0.428954D+01
      2   0.645819D+00  0.140991D+01  0.433085D+00 -0.182860D+01 -0.264856D+01
      3  -0.286243D+01 -0.382136D+00 -0.119499D+01  0.153022D+02  0.157433D+01
               106           107           108           109           110 
      1  -0.342853D+00  0.164498D+01 -0.411056D+00  0.242680D+00  0.915061D-02
      2  -0.855105D+00  0.537294D+00 -0.264610D+00  0.641935D+00 -0.693919D+00
      3  -0.267575D+00  0.130834D+01 -0.143695D+00 -0.672390D+01  0.567833D+01
               111           112           113           114           115 
      1   0.117799D+01 -0.305313D+00  0.727516D+00 -0.422736D+01 -0.596620D+00
      2   0.211314D+00 -0.934685D+00  0.976167D+00 -0.341072D+00 -0.108521D+01
      3   0.509914D+00  0.839841D+01 -0.125264D+02 -0.120754D+01  0.107585D+01
               116           117           118           119           120 
      1   0.191559D+01 -0.269996D+00 -0.743666D+00 -0.156840D+01  0.902774D+00
      2   0.287718D+00 -0.176448D+00 -0.129533D+01 -0.239421D-01  0.383343D+01
      3  -0.184874D+01  0.739952D-01 -0.117093D+01 -0.360544D+01  0.126416D+01
               121           122           123           124           125 
      1  -0.140477D+01 -0.630090D+00 -0.106666D+01  0.100976D+01  0.276212D+01
      2   0.344709D+00  0.422914D-01 -0.104543D+01  0.240097D+01 -0.543301D+00
      3  -0.266253D+01 -0.950129D+00  0.209662D+01  0.214066D+01  0.233830D+01
               126           127           128           129           130 
      1  -0.374793D+01  0.279110D+01 -0.197172D-01  0.322231D+01 -0.242120D+01
      2  -0.155219D+02  0.845778D+01 -0.233762D+01  0.593272D+01 -0.301809D+01
      3  -0.384682D+00  0.213712D+02 -0.128126D+02 -0.153411D+01 -0.190013D+01
               131           132           133           134           135 
      1   0.948121D+01 -0.149094D+00 -0.148866D+00  0.476400D+01 -0.105632D+02
      2   0.716699D+01  0.198351D+00 -0.616289D+00  0.312633D+01 -0.166279D+02
      3  -0.186197D+02 -0.797223D+01 -0.111226D+01 -0.786407D+01 -0.467252D+01
               136           137           138           139           140 
      1   0.237161D+01  0.601992D+00 -0.255847D+01  0.735518D+00  0.742338D+00
      2  -0.485408D+01 -0.187534D+01  0.600909D+01 -0.180085D+01 -0.189325D+01
      3   0.489271D+01 -0.403653D+01 -0.960863D+00  0.618395D+00 -0.212718D+01
               141           142           143           144           145 
      1  -0.153099D+01 -0.280541D+01  0.121180D+00  0.121211D+01 -0.111555D+01
      2   0.196402D+01  0.418736D+01  0.196763D+01 -0.269553D+01  0.177604D+01
      3   0.122567D+01 -0.233617D+01  0.307158D+01  0.834418D+00 -0.302507D+00
               146           147           148           149           150 
      1   0.194510D+00 -0.139265D+01  0.227904D+00 -0.130354D+01 -0.354337D+00
      2  -0.267182D+00  0.317635D+01 -0.827496D+00  0.111028D+01 -0.829821D+00
      3  -0.147627D+00  0.135995D+01  0.194379D+01  0.223702D+01 -0.151879D+01
               151           152           153           154           155 
      1  -0.373418D+01  0.274594D+01 -0.872593D+01  0.205619D+01  0.362193D+00
      2   0.312333D+01  0.158694D+01  0.165355D+02  0.503558D+00 -0.306118D+00
      3   0.373449D+01 -0.549239D+01  0.204998D+01  0.450138D+01  0.366965D+00
               156           157           158           159           160 
      1  -0.896062D+00  0.159540D+01  0.393680D+01 -0.686328D+01 -0.384348D+01
      2   0.128217D+01 -0.157732D-01 -0.206344D+01  0.209740D+01 -0.277921D+00
      3  -0.223837D+01  0.177321D+01 -0.342650D+00  0.630899D+00 -0.672753D+01
               161           162           163           164           165 
      1  -0.935892D+01  0.146567D+02 -0.106439D+01  0.707345D+00  0.525519D+00
      2   0.426005D+01 -0.532091D+01  0.208312D+00 -0.386755D+00  0.671861D+00
      3  -0.596325D+00 -0.759112D+00 -0.109434D+01 -0.362239D+00  0.166624D+01
               166           167           168           169           170 
      1  -0.180962D+01 -0.807426D+01 -0.766186D+01 -0.183491D+01 -0.827260D+01
      2  -0.257064D+00  0.238604D+01  0.167449D+01 -0.574111D+00  0.254076D+01
      3   0.490545D+01 -0.470478D+01 -0.226640D+01  0.436473D+01 -0.415783D+01
               171           172           173           174           175 
      1  -0.660932D+01  0.845159D+00 -0.531553D+00 -0.187296D+01 -0.110931D+00
      2   0.136022D+01  0.223665D+01  0.532736D+00 -0.243086D+01  0.269383D+00
      3  -0.216724D+01 -0.256024D+00  0.156467D+01 -0.164366D+01  0.122952D+01
               176           177           178           179           180 
      1   0.112746D+01 -0.114805D+01  0.485424D+00  0.134891D+01  0.137482D+02
      2   0.143142D+01 -0.285453D+00 -0.236468D+01 -0.318571D+01  0.195938D+02
      3   0.166399D+01 -0.151247D+01 -0.152852D+01 -0.366651D+01  0.369999D+01
               181           182           183           184           185 
      1  -0.184180D+00  0.159378D+00  0.206709D+01  0.267159D+00 -0.689855D+00
      2  -0.409880D+01 -0.784809D-02  0.625723D+01  0.194840D+00 -0.100681D+01
      3  -0.183215D+02 -0.461234D+01  0.955370D+00 -0.188893D+01  0.296265D-01
               186           187           188           189           190 
      1  -0.462094D+00  0.148251D+01  0.308212D+00  0.252569D+00 -0.101135D+01
      2   0.500268D+00  0.215205D+01 -0.395983D+00  0.186403D+00 -0.127287D+01
      3   0.111093D+01  0.163954D+01  0.190851D+01 -0.101045D+01  0.404800D+01
               191           192           193           194           195 
      1  -0.502653D+00 -0.172638D+01 -0.461974D+00 -0.559753D+01 -0.595216D+01
      2   0.705723D-01 -0.530360D+00 -0.449292D+00 -0.337859D+01 -0.311194D+01
      3   0.482292D+01  0.166645D+01  0.541288D+01  0.238650D+02  0.524689D+01
               196           197           198 
      1  -0.341398D+00 -0.233861D+01 -0.183498D+01
      2  -0.129233D+01 -0.290190D+01 -0.116004D+01
      3   0.216176D+01  0.714555D+01  0.439364D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183482D+01 -0.238080D+02 -0.156779D+01  0.293755D+02  0.557565D+01
      2  -0.612953D+01  0.171146D+02 -0.306660D+00 -0.289591D+02 -0.112016D+02
      3   0.429471D+01  0.669337D+01  0.187445D+01 -0.416361D+00  0.562592D+01
      4  -0.203766D+02  0.562488D+01  0.510615D+01  0.575058D+01 -0.146881D+02
      5   0.124322D+01  0.571468D+01  0.800496D+01 -0.488719D-01 -0.287771D+01
      6   0.477177D+01  0.239719D+01  0.973984D+01 -0.302802D+01  0.643883D+00
                 6             7             8             9            10 
      1   0.441373D+00  0.678547D+01  0.634140D+01  0.239005D+01 -0.100029D+02
      2   0.871664D+00 -0.498836D+01 -0.558405D+01 -0.842533D+01  0.550262D+01
      3  -0.131304D+01 -0.179711D+01 -0.757355D+00  0.603528D+01  0.450025D+01
      4  -0.391462D+01  0.472074D+01 -0.266706D+01  0.169660D+02  0.546364D+01
      5   0.149410D+02  0.241700D+02  0.192683D+02  0.208163D+01  0.102369D+02
      6   0.514729D+01  0.111651D+02  0.159535D+02 -0.232497D+01 -0.701442D+00
                11            12            13            14            15 
      1   0.345740D+01  0.715681D+01 -0.129109D+02 -0.247293D+02 -0.236478D+01
      2  -0.143777D+01 -0.386411D+01  0.106706D+02  0.240759D+02  0.360223D+01
      3  -0.201962D+01 -0.329270D+01  0.224032D+01  0.653398D+00 -0.123745D+01
      4   0.251969D+02 -0.891156D+00 -0.268604D+02  0.826992D+01  0.325949D+01
      5  -0.154803D+01  0.190277D+02 -0.610851D+01  0.260171D+01 -0.310236D+01
      6  -0.125178D+01 -0.193031D+01  0.269942D+01 -0.116105D+01 -0.586459D+01
                16            17            18            19            20 
      1   0.105159D+02 -0.385310D+01  0.154920D+02  0.131471D+02  0.206010D+02
      2  -0.366726D+01  0.267623D+01 -0.207633D+02 -0.128522D+02 -0.140625D+02
      3  -0.684869D+01  0.117687D+01  0.527129D+01 -0.294869D+00 -0.653848D+01
      4  -0.642868D+01 -0.911546D+00 -0.196622D+01  0.981057D+01 -0.131351D+02
      5   0.377948D+02 -0.406073D+01 -0.654097D+01  0.164461D+01 -0.422317D+01
      6  -0.376470D+00  0.425875D+01 -0.153464D+01 -0.228735D+01  0.569132D+01
                21            22            23            24            25 
      1  -0.934503D+00 -0.237216D+02  0.129454D+02  0.127680D+01  0.556919D+00
      2   0.506517D+00  0.221267D+02 -0.214964D+02 -0.420854D+01  0.185103D+01
      3   0.427986D+00  0.159489D+01  0.855101D+01  0.293174D+01 -0.240795D+01
      4  -0.363462D+01  0.904550D+01  0.451010D+01  0.240900D+01 -0.413905D+01
      5  -0.287687D+01 -0.708280D+00  0.281361D+01 -0.127135D+02  0.116073D+02
      6  -0.767465D+00  0.168521D+01 -0.520731D+01  0.718833D+01 -0.779075D+01
                26            27            28            29            30 
      1  -0.198741D+01 -0.411435D+01 -0.867395D+01 -0.264390D+02 -0.503634D+00
      2  -0.299188D+01 -0.557917D+01  0.771569D+01  0.199666D+02 -0.153228D+01
      3   0.497929D+01  0.969352D+01  0.958266D+00  0.647240D+01  0.203592D+01
      4   0.619073D+01 -0.166983D+02 -0.765250D+01 -0.933081D+01 -0.816701D+00
      5  -0.161851D+02 -0.214931D+01 -0.175483D+01 -0.244095D+00 -0.799144D+00
      6   0.141571D+02  0.248777D+01 -0.935239D+00 -0.410208D+01  0.276608D+01
                31            32            33            34            35 
      1  -0.119074D+02 -0.118219D+02 -0.621406D+00  0.181474D+01  0.173896D+00
      2   0.621245D+00  0.115394D+02  0.522669D+00 -0.269518D+01 -0.544174D+00
      3   0.112862D+02  0.282496D+00  0.987368D-01  0.880443D+00  0.370278D+00
      4   0.569645D+01 -0.762987D+01 -0.232770D+01 -0.181384D+01  0.233593D+01
      5  -0.377473D+01 -0.239079D+01  0.300548D+00  0.205869D+01 -0.325375D+01
      6  -0.808030D+01 -0.210171D+01  0.339262D+01  0.229225D+01  0.996284D+01
                36            37            38            39            40 
      1  -0.122181D+02 -0.236809D+02  0.468969D+01 -0.789324D+00 -0.237392D+01
      2   0.204659D+01  0.775929D+01 -0.586407D+00  0.696419D+00  0.515783D+01
      3   0.101715D+02  0.159217D+02 -0.410328D+01  0.929049D-01 -0.278391D+01
      4  -0.184134D+01 -0.699380D+01  0.902268D+01  0.747538D+00 -0.819508D+01
      5   0.206895D+01 -0.944417D+01 -0.327648D+00  0.264705D+01  0.912310D+00
      6  -0.112257D+01  0.386695D+00 -0.226569D+01 -0.169069D+01  0.532407D+01
                41            42            43            44            45 
      1  -0.467358D+00  0.717329D+00  0.467871D+01 -0.195854D+01 -0.892838D+01
      2   0.881429D+01  0.124354D+01 -0.116410D+01  0.230737D+01 -0.271889D+01
      3  -0.834693D+01 -0.196087D+01 -0.351461D+01 -0.348832D+00  0.116473D+02
      4   0.604515D+01  0.313292D+01 -0.175896D+01  0.376547D+01 -0.121015D+01
      5   0.211152D+01 -0.337394D+00  0.332101D+01  0.155049D+01  0.532808D+00
      6   0.124767D+01 -0.807056D+00 -0.903732D+00  0.478763D+01  0.678994D+00
                46            47            48            49            50 
      1   0.568450D+01  0.893516D+01 -0.909452D+00  0.220145D+01  0.770213D+01
      2  -0.371466D+01 -0.956613D+01  0.139724D+01  0.673894D+01 -0.153478D+02
      3  -0.196984D+01  0.630975D+00 -0.487788D+00 -0.894039D+01  0.764565D+01
      4   0.989537D+01 -0.203917D+02 -0.186256D+01  0.165729D+02  0.127127D+02
      5   0.710538D+00 -0.191946D+01 -0.591623D+01  0.194235D+01  0.975863D+00
      6  -0.358957D+01  0.257689D+01 -0.771021D+01  0.790147D+00 -0.496930D+01
                51            52            53            54            55 
      1   0.223787D+01 -0.935856D+00  0.173681D+00 -0.167248D+02  0.180021D+02
      2  -0.379929D+01  0.251030D+01 -0.365138D+01  0.412322D+01 -0.421410D+01
      3   0.156142D+01 -0.157444D+01  0.347769D+01  0.126016D+02 -0.137880D+02
      4   0.493218D+00  0.310500D+01  0.472710D+01  0.680512D+01  0.130833D+02
      5   0.194699D+01  0.146529D+01  0.688745D+01  0.515696D+01  0.618699D+01
      6   0.805208D+01 -0.279887D+01  0.176315D+02  0.529092D+01 -0.123865D+00
                56            57            58            59            60 
      1   0.110968D+01 -0.993075D+00  0.547902D+01 -0.853180D+01  0.160312D+01
      2   0.213710D+01 -0.432776D+01 -0.387718D+00  0.176630D+00  0.946259D+00
      3  -0.324678D+01  0.532083D+01 -0.509130D+01  0.835517D+01 -0.254938D+01
      4  -0.129799D+02  0.382718D+00 -0.245977D+02 -0.567331D+01 -0.824881D+01
      5   0.146122D+01 -0.116582D+02  0.230704D+01 -0.831683D+01  0.382792D+01
      6  -0.386585D+01  0.377714D+01 -0.651841D+01  0.326945D+01 -0.272349D+01
                61            62            63            64            65 
      1  -0.128641D+02  0.257289D+01  0.410606D+01 -0.182556D+02 -0.193581D+02
      2  -0.122840D+02  0.361721D+01  0.122008D+02  0.299963D+01  0.105011D+02
      3   0.251481D+02 -0.619010D+01 -0.163069D+02  0.152560D+02  0.885706D+01
      4   0.910533D+00 -0.132570D+02  0.572345D+01 -0.239044D+02 -0.659776D+01
      5  -0.181915D+02  0.358305D+01  0.383046D+02  0.155057D+02  0.559919D+01
      6   0.640895D+01 -0.215391D+00 -0.872282D+01  0.662213D+01  0.329129D+01
                66            67            68            69            70 
      1   0.934193D+01 -0.206356D+02  0.724206D+00  0.184465D+01  0.156679D+02
      2  -0.172374D+01  0.108430D+02  0.209360D+01  0.768274D+00  0.131147D+00
      3  -0.761819D+01  0.979262D+01 -0.281780D+01 -0.261293D+01 -0.157991D+02
      4   0.669713D+01 -0.384214D+01  0.126047D+02  0.711648D+01  0.141976D+02
      5  -0.812093D+01  0.695253D+01  0.594245D+01  0.142062D+01 -0.151574D+02
      6  -0.338551D+01  0.461500D+01  0.620627D+01  0.157237D+01 -0.747498D+01
                71            72            73            74            75 
      1   0.771954D+01 -0.981510D+01 -0.527514D+01  0.121440D+02 -0.458270D+01
      2  -0.261296D+01  0.166906D+02  0.841659D+01 -0.726245D+01  0.491698D+01
      3  -0.510658D+01 -0.687546D+01 -0.314145D+01 -0.488152D+01 -0.334287D+00
      4   0.954899D+01 -0.753258D+01  0.441931D+01  0.408597D+01  0.314772D+00
      5  -0.301597D+01 -0.285282D+02 -0.142554D+01  0.116870D+01 -0.165219D+01
      6   0.361963D+01 -0.104412D+02  0.162733D+01  0.702810D+01 -0.908477D+00
                76            77            78            79            80 
      1   0.257414D+02  0.327374D+02 -0.298338D+00 -0.110217D+02 -0.308689D+01
      2  -0.197925D+02 -0.348824D+02 -0.783713D+01  0.739419D+01 -0.778472D+01
      3  -0.594893D+01  0.214494D+01  0.813547D+01  0.362753D+01  0.108716D+02
      4   0.157473D+01 -0.700391D+01  0.361137D+00  0.933234D+00  0.341062D+01
      5   0.285482D+01  0.127602D+01 -0.691877D+01 -0.231839D+01 -0.107197D+02
      6   0.573776D+01 -0.516259D+01 -0.221988D+02 -0.122790D+02 -0.423787D+02
                81            82            83            84            85 
      1   0.291799D+02  0.257747D+02  0.163563D+02 -0.343214D+00  0.100985D+02
      2  -0.278137D+02 -0.451009D+01  0.742871D+00  0.102586D+00  0.822448D+01
      3  -0.136622D+01 -0.212646D+02 -0.170992D+02  0.240627D+00 -0.183230D+02
      4  -0.805551D+01  0.391227D+02  0.346424D+02 -0.117748D+01  0.386407D+02
      5   0.833727D+01 -0.516239D+00 -0.709684D+00  0.544991D+01  0.781404D+00
      6   0.173433D+02 -0.124553D+01 -0.125893D+01  0.298862D+01 -0.251741D+00
                86            87            88            89            90 
      1   0.483360D+01  0.179235D+00 -0.197104D+01 -0.142927D+01 -0.106861D+00
      2   0.178944D+02 -0.372328D+00  0.108950D+01  0.114630D+01  0.103603D+01
      3  -0.227280D+02  0.193093D+00  0.881537D+00  0.282963D+00 -0.929167D+00
      4   0.477007D+02 -0.164212D-01 -0.169669D+01 -0.634598D+00  0.199814D+01
      5   0.879119D+00  0.430036D+01  0.129133D+01  0.682239D+00 -0.436704D+00
      6  -0.598140D+00  0.507433D+01  0.106566D+01  0.169474D+01 -0.145369D+00
                91            92            93            94            95 
      1   0.102513D+03 -0.101313D+02 -0.925785D+01 -0.981040D+01  0.105857D+02
      2  -0.598795D+02  0.556457D+01  0.640356D+01  0.472800D+01 -0.529174D+01
      3  -0.426334D+02  0.456674D+01  0.285428D+01  0.508240D+01 -0.529400D+01
      4  -0.145421D+02  0.932033D+01  0.139256D+01  0.174204D+02 -0.491296D+01
      5  -0.134402D+02  0.140077D+01  0.104467D+02  0.248269D+01 -0.174433D+01
      6   0.227133D+00 -0.662271D+00 -0.625913D+00 -0.130048D+01  0.262914D+00
                96            97            98            99           100 
      1   0.147897D+01 -0.123154D+02  0.159700D+01  0.315456D+01  0.571434D+01
      2  -0.107466D+01  0.756027D+01 -0.822534D+00 -0.203597D+01  0.254792D+01
      3  -0.404316D+00  0.475509D+01 -0.774468D+00 -0.111859D+01 -0.826226D+01
      4  -0.182533D+01  0.298273D+01 -0.135198D+01 -0.967035D+00 -0.185225D+02
      5  -0.125835D+01  0.354090D+01 -0.194797D+00 -0.223950D+01 -0.211171D+01
      6   0.190395D+01 -0.333426D+00  0.819321D+00  0.434521D+00  0.187512D+01
               101           102           103           104           105 
      1  -0.466016D+01 -0.540554D+00  0.407790D+00 -0.145369D+02 -0.159487D+01
      2  -0.421204D+01 -0.382920D-01 -0.107424D+02  0.355227D+02  0.253768D+01
      3   0.887220D+01  0.578846D+00  0.103346D+02 -0.209857D+02 -0.942809D+00
      4   0.223857D+02  0.282400D+01  0.255795D+02 -0.479989D+02 -0.484563D+01
      5   0.244258D+01  0.352259D+01  0.240011D+01 -0.369708D+01 -0.434634D+01
      6  -0.225245D+01 -0.236586D+01 -0.267788D+01  0.656726D+01  0.701425D+01
               106           107           108           109           110 
      1  -0.715429D+00 -0.106152D+01 -0.169892D+01 -0.420800D+01  0.777903D+01
      2  -0.775820D+00  0.308904D+01  0.260904D+01  0.650425D+01 -0.971086D+01
      3   0.149125D+01 -0.202752D+01 -0.910128D+00 -0.229625D+01  0.193183D+01
      4   0.417691D+01 -0.597492D+01 -0.198476D+01 -0.351285D+01  0.792630D+01
      5   0.141155D+01 -0.134299D+01 -0.101488D+01  0.367384D+00 -0.237838D-02
      6  -0.159344D+01  0.345306D+01  0.147200D+01  0.125022D+01 -0.232497D+01
               111           112           113           114           115 
      1   0.152270D+01  0.639004D+01 -0.376995D+02 -0.412048D+01  0.104150D+01
      2  -0.111315D+01 -0.838453D+01  0.528551D+02  0.424366D+01 -0.140557D+01
      3  -0.409553D+00  0.199449D+01 -0.151556D+02 -0.123181D+00  0.364073D+00
      4   0.333758D+00  0.587729D+01  0.296268D+01  0.502588D+00  0.361525D+00
      5   0.971063D+00 -0.930861D-01  0.180189D+01  0.471041D+00  0.418469D+00
      6  -0.145980D+01 -0.126504D+01  0.784705D+01  0.717196D+01 -0.319409D+00
               116           117           118           119           120 
      1  -0.359304D+01 -0.169112D+01  0.567134D+01 -0.842801D+00 -0.426395D+01
      2   0.441582D+01  0.222963D+01 -0.884539D+01  0.280921D+00  0.625499D+01
      3  -0.822779D+00 -0.538508D+00  0.317405D+01  0.561880D+00 -0.199105D+01
      4  -0.552431D+00 -0.140305D+01 -0.453609D+01  0.734179D+01  0.176140D+01
      5  -0.549587D+00 -0.591975D+00 -0.118136D+02  0.117889D+01  0.158748D+02
      6   0.321724D+01  0.148105D+01  0.207337D+01  0.127595D+00 -0.183400D+01
               121           122           123           124           125 
      1  -0.428565D+00 -0.177342D+01 -0.320888D+00 -0.135907D+01 -0.944912D+00
      2  -0.677516D+00 -0.511917D+00  0.311499D+00  0.142696D+02 -0.121287D+01
      3   0.110608D+01  0.228534D+01  0.938909D-02 -0.129105D+02  0.215778D+01
      4   0.107035D+02 -0.321034D+01 -0.401081D+01  0.506827D+01 -0.611974D+01
      5   0.199967D+00 -0.395979D+01 -0.155767D+01  0.251466D+02 -0.390566D+01
      6  -0.166357D+01  0.971588D+00  0.811781D+01 -0.439570D+01  0.527930D+01
               126           127           128           129           130 
      1  -0.129446D+02 -0.626398D+02  0.987331D+01  0.427664D+01 -0.310244D+01
      2  -0.233900D+02  0.356486D+02 -0.137047D+02 -0.441464D+01 -0.450886D+01
      3   0.363346D+02  0.269911D+02  0.383142D+01  0.137996D+00  0.761130D+01
      4  -0.402006D+01  0.145424D+02  0.149169D+02 -0.379256D+01  0.225339D+02
      5  -0.406204D+02  0.536817D+01 -0.185423D+01  0.867690D+01 -0.423924D+01
      6   0.915253D+01 -0.704766D+01  0.287469D+01 -0.586293D+01  0.477012D+01
               131           132           133           134           135 
      1   0.245595D+02  0.536234D+01  0.100155D+02  0.266075D+01  0.160860D+02
      2  -0.275460D+02 -0.115969D+02 -0.115285D+01 -0.126292D+02  0.221636D+00
      3   0.298645D+01  0.623451D+01 -0.886262D+01  0.996841D+01 -0.163077D+02
      4   0.392985D+01  0.130521D+02 -0.102411D+02  0.153158D+02 -0.228759D+01
      5   0.154666D+02  0.231350D+00  0.686574D+01  0.217411D+01 -0.274587D+02
      6  -0.138151D+02 -0.588154D-01 -0.412944D+01 -0.170615D+01  0.182062D+02
               136           137           138           139           140 
      1   0.510237D+02  0.149148D+02 -0.954008D+01  0.113481D+02  0.594877D+01
      2  -0.228789D+02 -0.371273D+01  0.423939D+01 -0.126837D+01  0.277793D+01
      3  -0.281448D+02 -0.112021D+02  0.530069D+01 -0.100798D+02 -0.872670D+01
      4   0.361807D+02  0.207594D+02 -0.692537D+01  0.208579D+02  0.141226D+02
      5  -0.143404D+02 -0.467132D+01  0.109090D+02 -0.433676D+01 -0.513858D+01
      6  -0.594224D+01 -0.307498D+01  0.448029D+01 -0.327675D+01 -0.319382D+01
               141           142           143           144           145 
      1  -0.159605D+01 -0.159241D+02 -0.329879D+01  0.743253D+01  0.717910D+01
      2  -0.675082D+00  0.835778D+01  0.101109D+00 -0.614777D+01 -0.626901D+01
      3   0.227113D+01  0.756629D+01  0.319768D+01 -0.128476D+01 -0.910088D+00
      4  -0.564083D+01 -0.129791D+02 -0.978921D+01  0.830936D+01  0.549683D+01
      5   0.346751D+01  0.158780D+02  0.612534D+01 -0.707606D+01  0.826439D+01
      6   0.320656D+01  0.736689D+01  0.403675D+01 -0.352232D+01  0.247444D+01
               146           147           148           149           150 
      1   0.373477D+01  0.476497D+01  0.279094D+00 -0.119273D+01 -0.154533D+01
      2  -0.219159D+01 -0.484894D+01  0.147217D+01 -0.117323D+01  0.232884D+01
      3  -0.154318D+01  0.839730D-01 -0.175126D+01  0.236597D+01 -0.783509D+00
      4   0.268887D+01  0.234281D+01  0.389523D+01 -0.845881D+00  0.366233D+01
      5   0.732522D+00  0.954088D+01 -0.141697D+01  0.343344D+01 -0.238188D+01
      6   0.117191D+01  0.177700D+01  0.135971D+01  0.981789D+00  0.500783D+01
               151           152           153           154           155 
      1   0.834492D+01 -0.217981D+01 -0.142189D+01  0.646528D+00  0.298163D+00
      2  -0.118076D+02  0.155933D+01 -0.191190D+02 -0.129442D+01 -0.120466D+00
      3   0.346266D+01  0.620477D+00  0.205409D+02  0.647887D+00 -0.177698D+00
      4   0.500542D+01  0.780835D+01  0.711891D+01  0.354723D+01  0.733509D+01
      5   0.188174D+02  0.370324D+01  0.354401D+02 -0.234360D+01 -0.393470D+01
      6   0.662674D+01  0.468542D+01  0.156843D+02 -0.627453D+01 -0.231785D+01
               156           157           158           159           160 
      1  -0.324619D+00 -0.591584D+01 -0.248992D+02  0.119175D+02  0.527914D+01
      2  -0.389459D+00  0.702564D+01  0.284163D+02 -0.110188D+02 -0.375974D+01
      3   0.714078D+00 -0.110980D+01 -0.351707D+01 -0.898685D+00 -0.151940D+01
      4  -0.548395D+01  0.580372D+01  0.899252D+01 -0.448773D+01 -0.991585D+01
      5   0.637006D+01 -0.249197D+01 -0.514523D+01  0.454394D+01  0.757835D+01
      6   0.210260D+01 -0.488049D+01 -0.191519D+02  0.184838D+02  0.107184D+02
               161           162           163           164           165 
      1   0.243814D+02 -0.267876D+02 -0.278244D+00  0.421459D+01  0.232123D+01
      2  -0.192596D+02  0.131986D+02  0.237610D+01 -0.482647D+01 -0.191054D+01
      3  -0.512179D+01  0.135890D+02 -0.209785D+01  0.611877D+00 -0.410689D+00
      4  -0.100766D+02  0.779301D+01  0.108239D+01  0.775139D+01  0.367132D+01
      5   0.104272D+02 -0.118449D+02  0.107161D+01  0.185245D+01  0.240932D+01
      6   0.345610D+02 -0.357734D+02  0.457096D+01 -0.148491D+01 -0.905211D+00
               166           167           168           169           170 
      1  -0.358266D+01 -0.372605D+02 -0.111811D+02  0.277199D+00 -0.200854D+02
      2   0.535795D+01  0.538724D+02  0.164086D+02  0.154061D+01  0.263046D+02
      3  -0.177530D+01 -0.166119D+02 -0.522748D+01 -0.181781D+01 -0.621919D+01
      4   0.685745D+01  0.107234D+02  0.320987D+01  0.517636D+01  0.554761D+01
      5   0.168336D+01  0.385189D+01  0.333173D+01  0.359091D+01  0.549127D+01
      6   0.219582D+01  0.223411D+02  0.160761D+02  0.452795D+01  0.261934D+02
               171           172           173           174           175 
      1  -0.163589D+02  0.364339D+01 -0.265467D+01  0.583587D+01  0.940780D+00
      2   0.153342D+02 -0.382896D+01  0.299048D+01 -0.105556D+01 -0.978180D+00
      3   0.102471D+01  0.185567D+00 -0.335814D+00 -0.478031D+01  0.374004D-01
      4   0.436634D+01 -0.443781D+00 -0.203183D+01 -0.172108D+01 -0.529113D+00
      5   0.216284D+01  0.212109D+01  0.107592D+00 -0.508798D+00  0.773362D+00
      6   0.149106D+02 -0.161677D+01 -0.169450D+01  0.347832D+01 -0.641575D-02
               176           177           178           179           180 
      1  -0.584258D+01  0.229126D+01  0.665494D+01  0.392173D+01 -0.181687D+02
      2   0.422902D+01 -0.254225D+01 -0.404480D+01 -0.266776D+01 -0.937857D+01
      3   0.161357D+01  0.250988D+00 -0.261014D+01 -0.125397D+01  0.275472D+02
      4  -0.133852D+01  0.231891D+01 -0.706466D+01  0.772991D+01 -0.327076D+01
      5   0.190189D+01 -0.189210D+00  0.783876D+01 -0.633394D+01  0.334939D+02
      6  -0.219856D+01  0.615997D+01 -0.212292D+01  0.920884D+01 -0.262169D+02
               181           182           183           184           185 
      1   0.895365D+02 -0.915535D+01 -0.341300D+01  0.631752D+01  0.407893D+01
      2  -0.460388D+02  0.125845D+01  0.135374D+01 -0.622726D+01  0.646314D+00
      3  -0.434977D+02  0.789691D+01  0.205926D+01 -0.902559D-01 -0.472524D+01
      4  -0.382731D+02  0.164069D+02  0.822284D+00  0.840775D+01 -0.381844D+01
      5   0.223145D+01 -0.473651D+00  0.104338D+02  0.487968D+00 -0.161886D+01
      6   0.181854D+01  0.830251D+00 -0.410592D+01  0.280477D+00  0.111836D+01
               186           187           188           189           190 
      1  -0.733476D+00 -0.791951D+01 -0.168788D+00  0.622375D+01  0.277050D+01
      2   0.127551D+01  0.423927D+01  0.186059D+01 -0.510090D+01  0.921433D+00
      3  -0.542029D+00  0.368024D+01 -0.169181D+01 -0.112285D+01 -0.369193D+01
      4  -0.174964D+01  0.434557D+01 -0.387322D+01 -0.312083D+01 -0.184963D+01
      5   0.815237D+00  0.119718D+02 -0.197345D+01 -0.456133D+00 -0.151384D+01
      6   0.793564D+00 -0.352052D+01  0.189930D+01 -0.602574D+00  0.206650D+01
               191           192           193           194           195 
      1  -0.834222D+01 -0.225910D+01 -0.554804D+01 -0.280723D+02 -0.592924D+01
      2   0.947932D+01  0.215505D+01  0.167614D+01  0.488092D+02  0.997558D+01
      3  -0.113710D+01  0.104046D+00  0.387190D+01 -0.207370D+02 -0.404634D+01
      4  -0.234286D+00  0.134232D+01  0.890196D+01 -0.334169D+02 -0.620250D+01
      5  -0.316950D+00 -0.113903D+01 -0.559490D+00 -0.816685D+01 -0.679274D+01
      6   0.567015D+00  0.244241D+01 -0.260639D+00  0.753550D+01  0.890329D+01
               196           197           198 
      1  -0.410537D+01 -0.685039D+01 -0.749455D+01
      2   0.130289D+01  0.117280D+02  0.637339D+01
      3   0.280248D+01 -0.487761D+01  0.112115D+01
      4   0.505394D+01 -0.111722D+02 -0.472212D+01
      5   0.995571D+00 -0.631983D+01 -0.237326D+01
      6  -0.961301D-01  0.958487D+01  0.469794D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 21:37:30 2021, MaxMem=  5637144576 cpu:           31378.0 elap:            3931.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.17885 -10.17288 -10.17195 -10.17110 -10.17077
 Alpha  occ. eigenvalues --  -10.17049 -10.17019 -10.16987 -10.16840 -10.16165
 Alpha  occ. eigenvalues --   -0.87423  -0.81588  -0.76579  -0.72905  -0.71278
 Alpha  occ. eigenvalues --   -0.65137  -0.61058  -0.57732  -0.56428  -0.50747
 Alpha  occ. eigenvalues --   -0.47288  -0.46336  -0.44614  -0.42954  -0.42718
 Alpha  occ. eigenvalues --   -0.40794  -0.38855  -0.37586  -0.37191  -0.35289
 Alpha  occ. eigenvalues --   -0.34092  -0.33332  -0.32787  -0.32322  -0.25131
 Alpha  occ. eigenvalues --   -0.23876
 Alpha virt. eigenvalues --   -0.01607  -0.00582   0.00696   0.01635   0.01940
 Alpha virt. eigenvalues --    0.03294   0.04090   0.04251   0.05157   0.06508
 Alpha virt. eigenvalues --    0.07064   0.07585   0.09328   0.09701   0.10010
 Alpha virt. eigenvalues --    0.10939   0.11661   0.12313   0.12902   0.13284
 Alpha virt. eigenvalues --    0.13895   0.14323   0.14831   0.15217   0.16277
 Alpha virt. eigenvalues --    0.17154   0.17817   0.18573   0.18686   0.19564
 Alpha virt. eigenvalues --    0.19956   0.20139   0.20464   0.20821   0.21244
 Alpha virt. eigenvalues --    0.21601   0.22161   0.22299   0.23144   0.23266
 Alpha virt. eigenvalues --    0.23945   0.24543   0.25162   0.25677   0.26237
 Alpha virt. eigenvalues --    0.26535   0.27060   0.27252   0.27586   0.28102
 Alpha virt. eigenvalues --    0.28507   0.28883   0.29321   0.29543   0.29963
 Alpha virt. eigenvalues --    0.30266   0.30430   0.31229   0.31603   0.32512
 Alpha virt. eigenvalues --    0.33018   0.33112   0.33621   0.33684   0.34187
 Alpha virt. eigenvalues --    0.34862   0.35078   0.35748   0.36644   0.36660
 Alpha virt. eigenvalues --    0.36933   0.37329   0.38031   0.38344   0.38723
 Alpha virt. eigenvalues --    0.38889   0.39623   0.39695   0.40545   0.41474
 Alpha virt. eigenvalues --    0.41683   0.42107   0.42373   0.43360   0.43407
 Alpha virt. eigenvalues --    0.43922   0.44008   0.45427   0.45698   0.45927
 Alpha virt. eigenvalues --    0.46681   0.46945   0.47437   0.47923   0.49002
 Alpha virt. eigenvalues --    0.49477   0.49518   0.49721   0.50365   0.50937
 Alpha virt. eigenvalues --    0.51555   0.51940   0.52816   0.53678   0.53789
 Alpha virt. eigenvalues --    0.54861   0.55655   0.56336   0.57069   0.57612
 Alpha virt. eigenvalues --    0.58081   0.59083   0.59556   0.60519   0.60762
 Alpha virt. eigenvalues --    0.61952   0.62454   0.62738   0.63173   0.63717
 Alpha virt. eigenvalues --    0.64290   0.65163   0.65615   0.65851   0.66215
 Alpha virt. eigenvalues --    0.66692   0.67063   0.67875   0.68147   0.68493
 Alpha virt. eigenvalues --    0.69040   0.69584   0.69872   0.70709   0.70775
 Alpha virt. eigenvalues --    0.71264   0.71567   0.71968   0.72944   0.73159
 Alpha virt. eigenvalues --    0.73764   0.74662   0.74766   0.75385   0.75597
 Alpha virt. eigenvalues --    0.75907   0.77041   0.77545   0.77925   0.78119
 Alpha virt. eigenvalues --    0.78849   0.79496   0.79675   0.81259   0.81625
 Alpha virt. eigenvalues --    0.82296   0.82498   0.83727   0.84224   0.84412
 Alpha virt. eigenvalues --    0.85638   0.86367   0.87316   0.89889   0.90813
 Alpha virt. eigenvalues --    0.91612   0.92678   0.93163   0.94654   0.95914
 Alpha virt. eigenvalues --    0.96704   0.97873   0.99215   0.99499   1.00554
 Alpha virt. eigenvalues --    1.01299   1.02616   1.03614   1.04309   1.06454
 Alpha virt. eigenvalues --    1.09478   1.10690   1.11692   1.12910   1.13307
 Alpha virt. eigenvalues --    1.17729   1.19563   1.23055   1.23579   1.24028
 Alpha virt. eigenvalues --    1.25433   1.25775   1.26557   1.29061   1.31015
 Alpha virt. eigenvalues --    1.32040   1.32949   1.35817   1.36567   1.37387
 Alpha virt. eigenvalues --    1.38744   1.39396   1.40419   1.42284   1.45412
 Alpha virt. eigenvalues --    1.47058   1.48229   1.49811   1.50589   1.52478
 Alpha virt. eigenvalues --    1.53859   1.54976   1.55795   1.57289   1.60421
 Alpha virt. eigenvalues --    1.62731   1.64527   1.65850   1.66715   1.68945
 Alpha virt. eigenvalues --    1.73036   1.74145   1.77081   1.77459   1.78379
 Alpha virt. eigenvalues --    1.80719   1.82003   1.83083   1.83634   1.84193
 Alpha virt. eigenvalues --    1.84982   1.85766   1.86760   1.87517   1.88288
 Alpha virt. eigenvalues --    1.88639   1.89851   1.90687   1.91044   1.91382
 Alpha virt. eigenvalues --    1.93582   1.94228   1.95802   1.97840   1.99549
 Alpha virt. eigenvalues --    2.02275   2.03508   2.04577   2.05390   2.06656
 Alpha virt. eigenvalues --    2.07442   2.10216   2.13520   2.15554   2.17092
 Alpha virt. eigenvalues --    2.18492   2.20598   2.21696   2.22439   2.25116
 Alpha virt. eigenvalues --    2.28153   2.28760   2.30580   2.32054   2.33819
 Alpha virt. eigenvalues --    2.34135   2.34857   2.36549   2.40553   2.42280
 Alpha virt. eigenvalues --    2.43766   2.45269   2.49482   2.51771   2.52455
 Alpha virt. eigenvalues --    2.52766   2.54766   2.56423   2.58223   2.59333
 Alpha virt. eigenvalues --    2.61611   2.62261   2.64207   2.64647   2.65921
 Alpha virt. eigenvalues --    2.67084   2.68378   2.70060   2.70444   2.71757
 Alpha virt. eigenvalues --    2.73521   2.74800   2.76495   2.77385   2.78046
 Alpha virt. eigenvalues --    2.80186   2.80647   2.82508   2.83632   2.85433
 Alpha virt. eigenvalues --    2.86224   2.86648   2.87723   2.90355   2.91580
 Alpha virt. eigenvalues --    2.93484   2.94054   2.95006   2.95721   2.97846
 Alpha virt. eigenvalues --    2.98753   3.00001   3.00655   3.03721   3.05367
 Alpha virt. eigenvalues --    3.06493   3.08510   3.08751   3.11667   3.13430
 Alpha virt. eigenvalues --    3.13543   3.17984   3.19225   3.19540   3.20605
 Alpha virt. eigenvalues --    3.22795   3.23865   3.26338   3.26605   3.27963
 Alpha virt. eigenvalues --    3.30031   3.31059   3.31850   3.33694   3.34065
 Alpha virt. eigenvalues --    3.34118   3.35114   3.36644   3.38350   3.38688
 Alpha virt. eigenvalues --    3.39211   3.39873   3.41899   3.43160   3.43973
 Alpha virt. eigenvalues --    3.45947   3.47587   3.48075   3.49392   3.50274
 Alpha virt. eigenvalues --    3.51698   3.51785   3.52448   3.53222   3.55815
 Alpha virt. eigenvalues --    3.59078   3.59502   3.61304   3.62035   3.63164
 Alpha virt. eigenvalues --    3.64226   3.65877   3.66612   3.68530   3.70771
 Alpha virt. eigenvalues --    3.72534   3.74781   3.75844   3.78252   3.80066
 Alpha virt. eigenvalues --    3.83136   3.84552   3.87035   3.87439   3.91642
 Alpha virt. eigenvalues --    3.92716   3.96797   4.01043   4.03939   4.05385
 Alpha virt. eigenvalues --    4.07353   4.08804   4.10530   4.12373   4.13900
 Alpha virt. eigenvalues --    4.15749   4.16734   4.18780   4.22413   4.23881
 Alpha virt. eigenvalues --    4.24868   4.25897   4.26566   4.29605   4.31978
 Alpha virt. eigenvalues --    4.33365   4.35338   4.37451   4.39809   4.41601
 Alpha virt. eigenvalues --    4.44712   4.46375   4.48180   4.49428   4.54045
 Alpha virt. eigenvalues --    4.56809   4.62992   4.66499   4.67784   4.71520
 Alpha virt. eigenvalues --    4.75171   4.78664   4.79551   4.81415   4.84716
 Alpha virt. eigenvalues --    4.91474   4.94451   4.98365   5.03229   5.03776
 Alpha virt. eigenvalues --    5.10590   5.14496   5.18118   5.28700   5.31282
 Alpha virt. eigenvalues --    5.35179   5.40967   5.60165   5.66039   5.79706
 Alpha virt. eigenvalues --   22.56655  22.59903  22.69046  22.71348  22.81200
 Alpha virt. eigenvalues --   22.82482  22.95730  23.00607  23.09670  23.66852
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.010852   0.476982  -0.055771  -0.064796  -0.207982   0.031280
     2  C    0.476982   5.777475   0.026921  -0.069149   0.032868  -0.212196
     3  C   -0.055771   0.026921   6.843096  -0.004938  -0.470786   0.320280
     4  C   -0.064796  -0.069149  -0.004938   6.628058   0.397831  -0.300638
     5  C   -0.207982   0.032868  -0.470786   0.397831   7.322136  -0.242410
     6  C    0.031280  -0.212196   0.320280  -0.300638  -0.242410   6.782225
     7  C    0.048923   0.035133  -0.083803  -0.214460  -0.472712  -0.408643
     8  C   -0.031439  -0.007666   0.103682   0.091111   0.115541   0.053637
     9  C    0.049425   0.043155  -0.414053  -0.367735  -0.234774  -0.061927
    10  H    0.368262  -0.085882   0.019037   0.000249   0.007736  -0.091141
    11  H   -0.099706   0.380686  -0.086899   0.027891  -0.003952   0.000031
    12  H    0.021546  -0.075060   0.370887  -0.175412   0.039258   0.006890
    13  H   -0.094549   0.010078  -0.000663  -0.002502  -0.145738   0.441293
    14  H    0.001275   0.002524  -0.002757  -0.021969  -0.036866  -0.045138
    15  C    0.028988   0.000127  -0.001592  -0.020698  -0.066959   0.069994
    16  H    0.000110  -0.000234   0.001973  -0.001307  -0.015373   0.004825
    17  H   -0.002367  -0.000518   0.008822   0.021177  -0.010184   0.003621
    18  H   -0.000453   0.003901  -0.016820   0.001538  -0.019444  -0.004953
    19  H    0.000530   0.000381  -0.029788  -0.068218  -0.011127  -0.001759
    20  H    0.000152  -0.001555   0.001077   0.000352  -0.035807   0.007868
    21  H    0.000437  -0.000166  -0.000056   0.002081  -0.004958   0.011597
    22  H    0.003614   0.000870  -0.000821  -0.001001  -0.003264  -0.007169
               7          8          9         10         11         12
     1  C    0.048923  -0.031439   0.049425   0.368262  -0.099706   0.021546
     2  C    0.035133  -0.007666   0.043155  -0.085882   0.380686  -0.075060
     3  C   -0.083803   0.103682  -0.414053   0.019037  -0.086899   0.370887
     4  C   -0.214460   0.091111  -0.367735   0.000249   0.027891  -0.175412
     5  C   -0.472712   0.115541  -0.234774   0.007736  -0.003952   0.039258
     6  C   -0.408643   0.053637  -0.061927  -0.091141   0.000031   0.006890
     7  C    6.367758  -0.269467   0.257100   0.000528   0.000740  -0.004510
     8  C   -0.269467   6.219490  -0.215479  -0.000378  -0.000048   0.006318
     9  C    0.257100  -0.215479   6.736072   0.000883   0.000314  -0.009671
    10  H    0.000528  -0.000378   0.000883   0.486635  -0.003014  -0.000438
    11  H    0.000740  -0.000048   0.000314  -0.003014   0.487221  -0.004557
    12  H   -0.004510   0.006318  -0.009671  -0.000438  -0.004557   0.480442
    13  H   -0.009825   0.002785  -0.003220  -0.007881  -0.000618   0.000040
    14  H    0.310405  -0.138159  -0.014350  -0.000076  -0.000018   0.000041
    15  C   -0.344778   0.078767  -0.000233   0.000253   0.000045  -0.000074
    16  H   -0.013993   0.370354  -0.012907  -0.000000   0.000000   0.000011
    17  H    0.005724   0.328659  -0.020354  -0.000030  -0.000021  -0.000062
    18  H    0.000774  -0.014227   0.316503   0.000022   0.000057  -0.000067
    19  H   -0.003968  -0.005617   0.436097   0.000037  -0.000161   0.000137
    20  H   -0.015300   0.003677   0.001226   0.000100  -0.000010   0.000029
    21  H   -0.022285   0.002720  -0.002391   0.000004  -0.000000   0.000001
    22  H   -0.041353  -0.001105   0.000703  -0.000162   0.000008  -0.000003
              13         14         15         16         17         18
     1  C   -0.094549   0.001275   0.028988   0.000110  -0.002367  -0.000453
     2  C    0.010078   0.002524   0.000127  -0.000234  -0.000518   0.003901
     3  C   -0.000663  -0.002757  -0.001592   0.001973   0.008822  -0.016820
     4  C   -0.002502  -0.021969  -0.020698  -0.001307   0.021177   0.001538
     5  C   -0.145738  -0.036866  -0.066959  -0.015373  -0.010184  -0.019444
     6  C    0.441293  -0.045138   0.069994   0.004825   0.003621  -0.004953
     7  C   -0.009825   0.310405  -0.344778  -0.013993   0.005724   0.000774
     8  C    0.002785  -0.138159   0.078767   0.370354   0.328659  -0.014227
     9  C   -0.003220  -0.014350  -0.000233  -0.012907  -0.020354   0.316503
    10  H   -0.007881  -0.000076   0.000253  -0.000000  -0.000030   0.000022
    11  H   -0.000618  -0.000018   0.000045   0.000000  -0.000021   0.000057
    12  H    0.000040   0.000041  -0.000074   0.000011  -0.000062  -0.000067
    13  H    0.509527   0.001734   0.010758   0.000096   0.000186  -0.000019
    14  H    0.001734   0.868676  -0.031603  -0.011672   0.004343   0.018982
    15  C    0.010758  -0.031603   6.623708  -0.005323   0.000634   0.000186
    16  H    0.000096  -0.011672  -0.005323   0.439854  -0.016628  -0.003274
    17  H    0.000186   0.004343   0.000634  -0.016628   0.440037   0.005821
    18  H   -0.000019   0.018982   0.000186  -0.003274   0.005821   0.490912
    19  H   -0.000137  -0.002057  -0.000839   0.005711  -0.009082  -0.000806
    20  H    0.000827  -0.016599   0.358724   0.002776  -0.006120  -0.000496
    21  H    0.001912  -0.006180   0.366882   0.003763  -0.002424   0.000007
    22  H    0.000750  -0.010826   0.389831  -0.000015  -0.000388  -0.000005
              19         20         21         22
     1  C    0.000530   0.000152   0.000437   0.003614
     2  C    0.000381  -0.001555  -0.000166   0.000870
     3  C   -0.029788   0.001077  -0.000056  -0.000821
     4  C   -0.068218   0.000352   0.002081  -0.001001
     5  C   -0.011127  -0.035807  -0.004958  -0.003264
     6  C   -0.001759   0.007868   0.011597  -0.007169
     7  C   -0.003968  -0.015300  -0.022285  -0.041353
     8  C   -0.005617   0.003677   0.002720  -0.001105
     9  C    0.436097   0.001226  -0.002391   0.000703
    10  H    0.000037   0.000100   0.000004  -0.000162
    11  H   -0.000161  -0.000010  -0.000000   0.000008
    12  H    0.000137   0.000029   0.000001  -0.000003
    13  H   -0.000137   0.000827   0.001912   0.000750
    14  H   -0.002057  -0.016599  -0.006180  -0.010826
    15  C   -0.000839   0.358724   0.366882   0.389831
    16  H    0.005711   0.002776   0.003763  -0.000015
    17  H   -0.009082  -0.006120  -0.002424  -0.000388
    18  H   -0.000806  -0.000496   0.000007  -0.000005
    19  H    0.452861  -0.000038   0.000315   0.000086
    20  H   -0.000038   0.319686   0.018257   0.023108
    21  H    0.000315   0.018257   0.330848   0.013251
    22  H    0.000086   0.023108   0.013251   0.329623
 Mulliken charges:
               1
     1  C   -0.485312
     2  C   -0.338674
     3  C   -0.527029
     4  C    0.142536
     5  C    0.066965
     6  C   -0.357568
     7  C    0.878012
     8  C   -0.693157
     9  C   -0.484385
    10  H    0.305258
    11  H    0.302011
    12  H    0.344255
    13  H    0.285166
    14  H    0.130291
    15  C   -1.456798
    16  H    0.251252
    17  H    0.249154
    18  H    0.221861
    19  H    0.237443
    20  H    0.338068
    21  H    0.286383
    22  H    0.304267
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.180054
     2  C   -0.036663
     3  C   -0.182775
     4  C    0.142536
     5  C    0.066965
     6  C   -0.072402
     7  C    1.008303
     8  C   -0.192750
     9  C   -0.025080
    15  C   -0.528080
 Electronic spatial extent (au):  <R**2>=           1423.8055
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6263    Y=              0.2247    Z=             -0.1236  Tot=              0.6768
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.7719   YY=            -58.1423   ZZ=            -63.6312
   XY=              0.1335   XZ=             -1.0406   YZ=              0.5706
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.4099   YY=              2.0395   ZZ=             -3.4494
   XY=              0.1335   XZ=             -1.0406   YZ=              0.5706
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.0527  YYY=             -0.6977  ZZZ=             -0.4331  XYY=             -3.8188
  XXY=              0.5352  XXZ=              0.7546  XZZ=              7.1887  YZZ=              2.2092
  YYZ=             -0.6308  XYZ=             -0.5357
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1183.6402 YYYY=           -649.3514 ZZZZ=           -118.8325 XXXY=              5.0811
 XXXZ=            -14.7863 YYYX=              2.9286 YYYZ=              7.4071 ZZZX=              0.5137
 ZZZY=             -1.4388 XXYY=           -310.2049 XXZZ=           -238.6376 YYZZ=           -135.0560
 XXYZ=              1.3150 YYXZ=             -3.2684 ZZXY=             -0.0868
 N-N= 5.041436815771D+02 E-N=-1.908403847215D+03  KE= 3.863526625215D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 21:37:30 2021, MaxMem=  5637144576 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28478003D-01 8.49444388D-02-4.65017555D-02
 Polarizability= 1.37957720D+02 1.63918920D+00 1.21489626D+02
                -3.54523752D+00 1.51232014D+00 7.49665008D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.8747    1.8760        1.0228    1.0186
 2     -1.8747   -1.8760       -0.7164   -0.7166       -9.6923   -9.6955
 3     -1.0228   -1.0186       34.2359   34.2409        0.7226    0.7166
 4      0.7164    0.7166       -0.0000    0.0000       -1.0206   -1.0186
 5    -24.5436  -24.5454        1.0206    1.0186        1.8813    1.8760
 6     -0.7226   -0.7166       -1.8813   -1.8760       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -5.6280   -5.6280        3.0557    3.0557
 2      2.1499    2.1499        0.0000    0.0000        3.0557    3.0557
 3      2.1499    2.1499       -5.6280   -5.6280        0.0000    0.0000
 4     -5.6280   -5.6280       -2.1499   -2.1499      -29.0865  -29.0865
 5     -3.0557   -3.0557      102.7226  102.7226        2.1499    2.1499
 6    -73.6361  -73.6361        3.0557    3.0557        5.6280    5.6280
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0158    0.0000       -7.4433   -7.5040       -4.0222   -4.0743
 2      7.4275    7.5040        2.7903    2.8666       38.7072   38.7820
 3      4.0358    4.0743     -136.8094 -136.9635       -2.6932   -2.8666
 4     -2.8402   -2.8666        0.0320    0.0000        4.1122    4.0743
 5     98.1688   98.1815       -4.1398   -4.0743       -7.4124   -7.5040
 6      3.0285    2.8666        8.0164    7.5040        0.0982    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0367    0.0000        2.9884    2.9965      -11.9916  -12.0367
 2     -2.9346   -2.9965       46.9957   47.3105       13.4576   13.4887
 3     11.9902   12.0367        9.9993   10.1178      -47.3063  -47.3105
 4    -47.2670  -47.3105        0.1383    0.0000       12.0555   12.0367
 5    -23.7234  -23.6065      -13.4691  -12.0367        2.5390    2.9965
 6     47.6410   47.3105       -2.9860   -2.9965       -0.0665    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.8268    2.5537       30.2063   30.1983       16.3043   16.2960
 2    -66.9210  -67.1482       31.8874   31.7372       16.1730   16.2960
 3    -67.0007  -67.1482       30.3298   30.1983       28.8242   28.9086
 4     -1.5327   -1.5390       69.6996   69.7019       -0.2063   -0.2937
 5     12.5282   12.6126       20.1226   19.8350      -69.9727  -69.7019
 6    -19.9231  -19.5413      -13.8714  -12.6126        1.2245    1.5390
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1738   -0.0008   -0.0005    0.0003    3.5765    6.0893
 Low frequencies ---  106.3497  149.1017  211.4380
 Diagonal vibrational polarizability:
        1.3206233       0.8750057       6.3154137
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.3496               149.1015               211.4379
 Red. masses --      2.7186                 2.4375                 2.3431
 Frc consts  --      0.0181                 0.0319                 0.0617
 IR Inten    --      0.0226                 0.9817                 0.9824
 RamAct Fr= 1--      1.6816                 3.0849                 1.4589
  Dep-P Fr= 1--      0.7292                 0.7457                 0.5601
  Dep-U Fr= 1--      0.8434                 0.8543                 0.7180
 Alpha2 Fr= 1--      0.0006                 0.0002                 0.0053
 Beta2  Fr= 1--      0.2364                 0.4392                 0.1746
 AlphaG Fr= 1--     -0.0003                 0.0010                -0.0031
 Gamma2 Fr= 1--      0.0584                 0.4357                 1.2677
 Delta2 Fr= 1--      0.0149                 0.3613                 0.2028
 Raman1 Fr= 1--       6.726                 12.340                  5.835
 ROA1   Fr= 1--       6.083                 53.385                128.186
 CID1   Fr= 1--       0.904                  4.326                 21.967
 Raman2 Fr= 1--       2.836                  5.271                  2.095
 ROA2   Fr= 1--       1.283                  7.566                 28.802
 CID2   Fr= 1--       0.452                  1.435                 13.748
 Raman3 Fr= 1--       5.673                 10.542                  4.190
 ROA3   Fr= 1--       6.083                 53.385                128.186
 CID3   Fr= 1--       1.072                  5.064                 30.593
 RC180  Fr= 1--       0.687                  0.709                  0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.04  -0.01   0.05     0.07  -0.04   0.12
     2   6     0.01  -0.02   0.07     0.04  -0.03   0.15     0.02  -0.04  -0.02
     3   6     0.02  -0.02   0.14     0.02  -0.01   0.04    -0.02  -0.01  -0.12
     4   6     0.01  -0.01   0.05     0.00   0.02  -0.12    -0.00   0.03  -0.07
     5   6     0.00  -0.00  -0.05     0.01   0.02  -0.15     0.01   0.04  -0.08
     6   6    -0.01   0.01  -0.16     0.03   0.01  -0.11     0.06   0.01   0.05
     7   6     0.00  -0.03  -0.02     0.02   0.03  -0.00    -0.00   0.01  -0.06
     8   6     0.04   0.02  -0.18    -0.05  -0.00   0.14     0.04   0.00  -0.06
     9   6    -0.01   0.00   0.01     0.01   0.01  -0.11     0.00   0.05   0.17
    10   1    -0.01   0.00  -0.19     0.06  -0.03   0.13     0.10  -0.07   0.26
    11   1     0.02  -0.02   0.14     0.06  -0.05   0.31     0.02  -0.06  -0.02
    12   1     0.03  -0.03   0.25     0.01  -0.02   0.11    -0.06  -0.02  -0.16
    13   1    -0.02   0.01  -0.27     0.03   0.02  -0.14     0.10   0.02   0.12
    14   1     0.06  -0.21  -0.00     0.17   0.10   0.02     0.04  -0.03  -0.05
    15   6    -0.07   0.05   0.21    -0.10  -0.03   0.04    -0.16  -0.04   0.01
    16   1    -0.05   0.01  -0.35     0.07  -0.00   0.37    -0.03   0.04  -0.17
    17   1     0.24   0.09  -0.21    -0.31  -0.05   0.19     0.21  -0.04  -0.09
    18   1    -0.13   0.07   0.03     0.15  -0.14  -0.18    -0.00   0.35   0.31
    19   1     0.06  -0.05   0.07    -0.06   0.11  -0.23    -0.00  -0.17   0.41
    20   1    -0.14   0.25   0.20    -0.35  -0.15  -0.01    -0.35  -0.07  -0.02
    21   1    -0.06  -0.00   0.26    -0.07   0.01   0.30    -0.13  -0.10   0.21
    22   1    -0.07  -0.01   0.36     0.01   0.01  -0.13    -0.14  -0.01  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    238.2188               264.2644               397.4969
 Red. masses --      1.1483                 2.4856                 2.6060
 Frc consts  --      0.0384                 0.1023                 0.2426
 IR Inten    --      0.0084                 1.6566                 0.3911
 RamAct Fr= 1--      0.1038                 0.4812                 1.0667
  Dep-P Fr= 1--      0.5281                 0.7176                 0.1031
  Dep-U Fr= 1--      0.6912                 0.8356                 0.1870
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0185
 Beta2  Fr= 1--      0.0120                 0.0670                 0.0332
 AlphaG Fr= 1--      0.0017                -0.0024                 0.0110
 Gamma2 Fr= 1--      0.0420                -0.5080                -0.4550
 Delta2 Fr= 1--      0.0495                -0.0706                -0.1025
 Raman1 Fr= 1--       0.415                  1.925                  4.267
 ROA1   Fr= 1--       5.613                -51.031                -46.963
 CID1   Fr= 1--      13.519                -26.510                -11.006
 Raman2 Fr= 1--       0.143                  0.804                  0.399
 ROA2   Fr= 1--       0.612                -11.628                -10.101
 CID2   Fr= 1--       4.262                -14.458                -25.318
 Raman3 Fr= 1--       0.287                  1.608                  0.798
 ROA3   Fr= 1--       5.613                -51.031                -46.963
 CID3   Fr= 1--      19.558                -31.726                -58.855
 RC180  Fr= 1--       0.382                  0.671                 -0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.06   0.04   0.08    -0.01   0.00   0.02
     2   6    -0.01   0.03  -0.01    -0.02   0.05   0.07    -0.02  -0.01   0.13
     3   6     0.01   0.01   0.00     0.02   0.01  -0.09    -0.04   0.01  -0.14
     4   6     0.00  -0.02   0.01    -0.00  -0.05  -0.12    -0.02   0.01  -0.01
     5   6    -0.01  -0.03   0.00    -0.02  -0.06  -0.13     0.01   0.01   0.09
     6   6    -0.03  -0.01   0.01    -0.08  -0.02  -0.08    -0.03   0.03  -0.16
     7   6    -0.00  -0.02  -0.01     0.02  -0.04  -0.03     0.03  -0.01   0.17
     8   6    -0.00  -0.01  -0.03    -0.03  -0.05   0.05     0.04   0.09  -0.03
     9   6    -0.00  -0.02   0.02    -0.02  -0.03   0.10    -0.04   0.03  -0.00
    10   1    -0.05   0.03   0.01    -0.07   0.05   0.21     0.00  -0.01   0.04
    11   1    -0.01   0.05  -0.02     0.00   0.09   0.19    -0.00  -0.03   0.28
    12   1     0.03   0.02  -0.00     0.08   0.04  -0.09    -0.06   0.02  -0.31
    13   1    -0.05  -0.02   0.02    -0.14  -0.04  -0.08    -0.05   0.04  -0.35
    14   1    -0.00  -0.03  -0.01     0.09  -0.03  -0.02    -0.01  -0.02   0.17
    15   6     0.07   0.04   0.01     0.15   0.10   0.05     0.06  -0.14  -0.01
    16   1    -0.02  -0.02  -0.07    -0.02  -0.01   0.11    -0.08   0.06  -0.28
    17   1     0.04  -0.01  -0.04    -0.05  -0.14   0.05     0.27   0.30  -0.06
    18   1    -0.02   0.02   0.03     0.05   0.18   0.21    -0.07   0.05   0.01
    19   1     0.00  -0.04   0.04    -0.09  -0.19   0.27    -0.07   0.01   0.01
    20   1    -0.34  -0.27  -0.07     0.40   0.35   0.10     0.13  -0.39   0.01
    21   1     0.09   0.41   0.45     0.12   0.11  -0.21     0.06  -0.15  -0.07
    22   1     0.53   0.03  -0.33     0.10  -0.00   0.34     0.01  -0.04  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    423.4984               458.9573               519.9511
 Red. masses --      2.8403                 2.9757                 3.9080
 Frc consts  --      0.3001                 0.3693                 0.6225
 IR Inten    --      1.2983                 4.9778                 1.0822
 RamAct Fr= 1--      0.2787                 1.5975                 7.3757
  Dep-P Fr= 1--      0.7481                 0.1249                 0.1889
  Dep-U Fr= 1--      0.8559                 0.2221                 0.3178
 Alpha2 Fr= 1--      0.0000                 0.0263                 0.1031
 Beta2  Fr= 1--      0.0398                 0.0591                 0.3907
 AlphaG Fr= 1--      0.0002                 0.0275                -0.0586
 Gamma2 Fr= 1--      0.5946                 0.0749                -1.7948
 Delta2 Fr= 1--      0.0715                 0.0357                -0.3691
 Raman1 Fr= 1--       1.115                  6.390                 29.503
 ROA1   Fr= 1--      59.371                  8.332               -184.116
 CID1   Fr= 1--      53.258                  1.304                 -6.241
 Raman2 Fr= 1--       0.477                  0.710                  4.688
 ROA2   Fr= 1--      13.699                  1.512                -40.123
 CID2   Fr= 1--      28.715                  2.131                 -8.558
 Raman3 Fr= 1--       0.954                  1.419                  9.377
 ROA3   Fr= 1--      59.371                  8.332               -184.116
 CID3   Fr= 1--      62.225                  5.871                -19.636
 RC180  Fr= 1--       0.712                 -0.556                 -0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.08   0.05     0.02   0.03   0.14     0.09   0.02  -0.15
     2   6    -0.00  -0.09   0.03     0.03   0.06  -0.04     0.22   0.04   0.14
     3   6    -0.09   0.01  -0.09     0.06   0.01  -0.10     0.11   0.09  -0.09
     4   6    -0.02   0.13   0.10     0.05  -0.12   0.23     0.03  -0.02  -0.09
     5   6    -0.07   0.10   0.08     0.04  -0.09   0.04    -0.03  -0.07   0.19
     6   6     0.02   0.06  -0.10    -0.02  -0.05  -0.12     0.07  -0.12   0.03
     7   6    -0.11  -0.04  -0.03     0.03   0.07  -0.09    -0.16  -0.02   0.02
     8   6     0.04  -0.15   0.00    -0.02   0.05   0.02    -0.14  -0.04  -0.02
     9   6     0.15   0.01  -0.00    -0.05  -0.07   0.01    -0.07   0.02   0.00
    10   1     0.08  -0.12   0.07    -0.02   0.06   0.22    -0.04   0.13  -0.34
    11   1    -0.01  -0.14   0.03     0.02   0.10  -0.18     0.23   0.01   0.28
    12   1    -0.25  -0.03  -0.26     0.12   0.07  -0.41     0.13   0.10  -0.16
    13   1     0.13   0.12  -0.29    -0.13  -0.06  -0.38     0.08  -0.10  -0.08
    14   1    -0.20  -0.07  -0.05     0.02   0.11  -0.09    -0.33  -0.04  -0.02
    15   6     0.01   0.08   0.01    -0.09   0.08  -0.02    -0.08   0.07  -0.03
    16   1     0.12  -0.25   0.07    -0.02   0.13   0.09    -0.08  -0.10   0.05
    17   1    -0.03  -0.24   0.01    -0.08  -0.02   0.02    -0.21  -0.08  -0.01
    18   1     0.19  -0.12  -0.06    -0.20  -0.31  -0.11    -0.05   0.25   0.12
    19   1     0.34   0.11  -0.09    -0.04   0.09  -0.17    -0.14  -0.16   0.20
    20   1     0.05   0.16   0.02    -0.22   0.18  -0.04    -0.06   0.07  -0.03
    21   1    -0.01   0.29  -0.02    -0.06  -0.06   0.11    -0.09   0.17  -0.05
    22   1     0.20  -0.02   0.12    -0.17   0.08   0.03    -0.00   0.04  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    534.3372               593.4048               621.4727
 Red. masses --      4.2641                 3.1132                 3.2123
 Frc consts  --      0.7173                 0.6459                 0.7310
 IR Inten    --      0.5710                 1.4833                 0.8010
 RamAct Fr= 1--      4.8051                 1.0424                 2.1790
  Dep-P Fr= 1--      0.7392                 0.5388                 0.2905
  Dep-U Fr= 1--      0.8501                 0.7003                 0.4502
 Alpha2 Fr= 1--      0.0009                 0.0042                 0.0230
 Beta2  Fr= 1--      0.6808                 0.1217                 0.1635
 AlphaG Fr= 1--      0.0029                 0.0197                -0.0045
 Gamma2 Fr= 1--      0.6877                 0.3418                 0.3448
 Delta2 Fr= 1--      0.2301                 0.1661                -0.2633
 Raman1 Fr= 1--      19.220                  4.170                  8.716
 ROA1   Fr= 1--      73.379                 38.125                 24.676
 CID1   Fr= 1--       3.818                  9.144                  2.831
 Raman2 Fr= 1--       8.169                  1.460                  1.962
 ROA2   Fr= 1--      14.662                  6.874                 10.382
 CID2   Fr= 1--       1.795                  4.708                  5.291
 Raman3 Fr= 1--      16.339                  2.920                  3.924
 ROA3   Fr= 1--      73.379                 38.125                 24.676
 CID3   Fr= 1--       4.491                 13.056                  6.288
 RC180  Fr= 1--       0.700                  0.401                 -0.100
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.07     0.03  -0.06   0.12    -0.12  -0.10   0.06
     2   6    -0.03  -0.06   0.07     0.14   0.01  -0.16     0.04  -0.05  -0.05
     3   6     0.07  -0.12  -0.05     0.08   0.06   0.09     0.13  -0.11   0.02
     4   6     0.09  -0.03  -0.09     0.02   0.03  -0.00     0.14   0.06   0.04
     5   6    -0.04  -0.06   0.05    -0.12  -0.02  -0.12     0.00   0.00   0.04
     6   6    -0.15  -0.07   0.05    -0.02  -0.11  -0.10    -0.11   0.03  -0.02
     7   6    -0.01   0.15   0.04    -0.16   0.00   0.17     0.00  -0.06  -0.04
     8   6     0.20   0.08   0.07    -0.02   0.03   0.02    -0.11   0.06  -0.05
     9   6     0.18   0.00   0.00     0.02   0.02   0.00     0.02   0.25  -0.04
    10   1    -0.23  -0.08  -0.14    -0.05   0.01   0.39    -0.14  -0.09   0.01
    11   1     0.01   0.10   0.19     0.13   0.03  -0.20     0.06   0.16  -0.17
    12   1     0.06  -0.13  -0.02     0.05   0.02   0.27     0.06  -0.13  -0.09
    13   1    -0.17  -0.08   0.08     0.07  -0.09   0.04    -0.07   0.06  -0.16
    14   1    -0.06   0.26   0.02    -0.06   0.03   0.18    -0.01  -0.14  -0.04
    15   6    -0.11   0.17  -0.06    -0.02   0.02  -0.01     0.04  -0.08   0.03
    16   1     0.14  -0.01  -0.12    -0.11  -0.14  -0.29     0.11  -0.00   0.31
    17   1     0.37   0.14   0.04     0.25   0.23  -0.02    -0.49  -0.04   0.01
    18   1     0.29  -0.03  -0.00     0.03  -0.08  -0.04    -0.10   0.45   0.05
    19   1     0.05   0.03  -0.04    -0.02   0.09  -0.08     0.08   0.08   0.16
    20   1    -0.16   0.15  -0.07     0.23  -0.17   0.04     0.02  -0.09   0.02
    21   1    -0.10   0.07  -0.01    -0.06   0.21  -0.24     0.05  -0.10   0.04
    22   1    -0.20   0.21  -0.09     0.07   0.03  -0.11     0.03  -0.08   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    732.6043               751.3681               767.8037
 Red. masses --      3.2203                 2.3853                 1.5851
 Frc consts  --      1.0183                 0.7934                 0.5506
 IR Inten    --      4.0162                18.1070                37.6064
 RamAct Fr= 1--      3.0198                18.0647                 7.9414
  Dep-P Fr= 1--      0.1010                 0.0614                 0.2114
  Dep-U Fr= 1--      0.1835                 0.1157                 0.3490
 Alpha2 Fr= 1--      0.0527                 0.3473                 0.1046
 Beta2  Fr= 1--      0.0923                 0.3483                 0.4619
 AlphaG Fr= 1--      0.0208                -0.0158                 0.0047
 Gamma2 Fr= 1--     -0.6616                -0.6558                -0.0739
 Delta2 Fr= 1--     -0.2922                -0.1090                -0.0032
 Raman1 Fr= 1--      12.079                 72.259                 31.766
 ROA1   Fr= 1--     -72.865                -66.450                 -7.196
 CID1   Fr= 1--      -6.032                 -0.920                 -0.227
 Raman2 Fr= 1--       1.108                  4.180                  5.543
 ROA2   Fr= 1--     -13.541                -14.868                 -1.747
 CID2   Fr= 1--     -12.221                 -3.557                 -0.315
 Raman3 Fr= 1--       2.216                  8.359                 11.085
 ROA3   Fr= 1--     -72.865                -66.450                 -7.196
 CID3   Fr= 1--     -32.881                 -7.949                 -0.649
 RC180  Fr= 1--      -0.633                 -0.769                 -0.302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05  -0.16    -0.00   0.05  -0.05    -0.00  -0.01  -0.03
     2   6     0.10  -0.02   0.10    -0.05  -0.01  -0.04    -0.01   0.02  -0.09
     3   6    -0.00   0.07  -0.14     0.10  -0.15  -0.07    -0.06   0.07  -0.01
     4   6     0.02   0.05   0.20     0.08  -0.05   0.02    -0.03   0.01  -0.00
     5   6    -0.07   0.02  -0.19     0.07   0.05   0.01    -0.01  -0.04   0.11
     6   6    -0.03  -0.06   0.10     0.01   0.19  -0.03    -0.01  -0.09  -0.07
     7   6     0.00  -0.03  -0.05    -0.07  -0.03   0.05     0.05   0.02  -0.03
     8   6    -0.02   0.05   0.01    -0.06  -0.05  -0.00     0.03   0.02  -0.03
     9   6    -0.01   0.05   0.07    -0.05  -0.04   0.02     0.03   0.03  -0.02
    10   1    -0.11  -0.00   0.12     0.20  -0.11   0.43     0.00  -0.00   0.54
    11   1     0.14  -0.01   0.34     0.03   0.08   0.46     0.05  -0.10   0.52
    12   1    -0.08   0.03  -0.11     0.23  -0.15   0.25    -0.04   0.02   0.40
    13   1     0.07  -0.07   0.49     0.07   0.18   0.33    -0.01  -0.12   0.20
    14   1     0.16  -0.02  -0.02    -0.10  -0.04   0.04    -0.08  -0.01  -0.05
    15   6     0.04  -0.07   0.03    -0.05   0.04  -0.02     0.02  -0.01   0.00
    16   1    -0.09   0.11  -0.06    -0.11  -0.09  -0.11     0.12   0.05   0.17
    17   1     0.09   0.02  -0.01     0.04  -0.01  -0.02    -0.16  -0.06   0.01
    18   1    -0.11  -0.31  -0.11    -0.09  -0.15  -0.03    -0.02   0.11   0.02
    19   1     0.09   0.32  -0.21    -0.06   0.03  -0.06     0.08  -0.03   0.06
    20   1     0.06  -0.03   0.03     0.05  -0.01   0.00    -0.10   0.04  -0.02
    21   1     0.04  -0.03   0.01    -0.07   0.16  -0.11     0.05  -0.14   0.11
    22   1     0.09  -0.10   0.07     0.03   0.03  -0.04    -0.06   0.01   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    814.9262               857.7579               881.8694
 Red. masses --      2.1386                 2.8230                 1.3484
 Frc consts  --      0.8368                 1.2238                 0.6178
 IR Inten    --      0.4324                 0.1904                 0.0980
 RamAct Fr= 1--      1.9166                 8.9485                 0.9005
  Dep-P Fr= 1--      0.7323                 0.0860                 0.6257
  Dep-U Fr= 1--      0.8455                 0.1585                 0.7697
 Alpha2 Fr= 1--      0.0006                 0.1621                 0.0020
 Beta2  Fr= 1--      0.2701                 0.2363                 0.1155
 AlphaG Fr= 1--     -0.0008                 0.0778                 0.0039
 Gamma2 Fr= 1--      1.0277                 0.6016                -1.0981
 Delta2 Fr= 1--      1.2632                 0.4426                -0.7275
 Raman1 Fr= 1--       7.666                 35.794                  3.602
 ROA1   Fr= 1--     139.086                 71.921               -128.695
 CID1   Fr= 1--      18.142                  2.009                -35.729
 Raman2 Fr= 1--       3.241                  2.836                  1.386
 ROA2   Fr= 1--      14.560                 10.899                -20.534
 CID2   Fr= 1--       4.493                  3.843                -14.812
 Raman3 Fr= 1--       6.482                  5.672                  2.773
 ROA3   Fr= 1--     139.086                 71.921               -128.695
 CID3   Fr= 1--      21.458                 12.680                -46.417
 RC180  Fr= 1--       0.691                 -0.683                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.05     0.09   0.11   0.01     0.00  -0.01   0.06
     2   6    -0.11   0.02   0.06    -0.15   0.03   0.00    -0.01   0.00  -0.05
     3   6    -0.04  -0.03  -0.01    -0.02  -0.07  -0.02    -0.01   0.01  -0.10
     4   6     0.01  -0.06   0.10     0.02  -0.03  -0.02     0.00  -0.00   0.03
     5   6     0.02  -0.05  -0.11     0.04  -0.09   0.00     0.00   0.00  -0.04
     6   6     0.04  -0.07  -0.00     0.06  -0.10   0.00     0.01  -0.01   0.09
     7   6    -0.02   0.03   0.11    -0.11  -0.09  -0.07     0.01   0.02   0.03
     8   6    -0.00  -0.03  -0.07     0.02   0.07   0.08    -0.03  -0.01  -0.03
     9   6     0.08   0.06  -0.06     0.03   0.21   0.04     0.02  -0.01   0.01
    10   1     0.09   0.05   0.08     0.11   0.09  -0.08    -0.05   0.03  -0.39
    11   1    -0.14  -0.06  -0.06    -0.15  -0.09   0.10     0.04  -0.02   0.32
    12   1     0.02   0.02  -0.22     0.11  -0.03   0.13     0.06  -0.05   0.58
    13   1    -0.06  -0.14   0.24    -0.12  -0.15  -0.15    -0.06   0.03  -0.53
    14   1     0.11  -0.06   0.14    -0.16   0.01  -0.08     0.10  -0.03   0.04
    15   6    -0.04   0.07   0.01    -0.02  -0.06  -0.02    -0.00   0.02   0.01
    16   1     0.21  -0.25   0.16    -0.04  -0.05  -0.14     0.01  -0.03   0.02
    17   1    -0.31   0.05  -0.00     0.28   0.02   0.03    -0.08  -0.00  -0.02
    18   1    -0.14   0.32   0.06     0.22  -0.08  -0.09    -0.07  -0.03  -0.00
    19   1     0.28  -0.15   0.20    -0.11   0.42  -0.21     0.12   0.01   0.00
    20   1     0.13  -0.21   0.04    -0.01   0.19  -0.01     0.05  -0.11   0.02
    21   1    -0.07   0.08  -0.19    -0.04   0.19   0.01    -0.01  -0.01  -0.06
    22   1    -0.10   0.18  -0.22     0.23  -0.25   0.25    -0.06   0.08  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    918.3026               935.9965               961.9110
 Red. masses --      1.9168                 1.3693                 1.2360
 Frc consts  --      0.9524                 0.7068                 0.6738
 IR Inten    --      0.1240                 0.5917                 0.0175
 RamAct Fr= 1--      1.5971                 0.3603                 0.0284
  Dep-P Fr= 1--      0.7236                 0.5137                 0.5487
  Dep-U Fr= 1--      0.8396                 0.6787                 0.7086
 Alpha2 Fr= 1--      0.0007                 0.0017                 0.0001
 Beta2  Fr= 1--      0.2235                 0.0408                 0.0034
 AlphaG Fr= 1--     -0.0032                 0.0042                -0.0043
 Gamma2 Fr= 1--      0.5116                 0.1262                 0.0277
 Delta2 Fr= 1--      0.0242                 0.0344                -0.0100
 Raman1 Fr= 1--       6.389                  1.441                  0.114
 ROA1   Fr= 1--      49.889                 13.215                  2.343
 CID1   Fr= 1--       7.809                  9.170                 20.596
 Raman2 Fr= 1--       2.682                  0.489                  0.040
 ROA2   Fr= 1--      12.085                  2.754                  0.745
 CID2   Fr= 1--       4.506                  5.631                 18.487
 Raman3 Fr= 1--       5.364                  0.978                  0.081
 ROA3   Fr= 1--      49.889                 13.215                  2.343
 CID3   Fr= 1--       9.301                 13.511                 29.067
 RC180  Fr= 1--       0.679                  0.357                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.01  -0.00   0.06    -0.01   0.01  -0.09
     2   6     0.02   0.00  -0.01     0.01  -0.00   0.07     0.01  -0.01   0.09
     3   6    -0.00   0.01  -0.01    -0.01   0.00  -0.09    -0.01   0.00  -0.05
     4   6    -0.01  -0.04   0.03     0.00  -0.00  -0.00    -0.00   0.00  -0.01
     5   6    -0.04   0.04  -0.03    -0.00  -0.00   0.03     0.00  -0.00   0.01
     6   6    -0.00   0.03   0.03    -0.01   0.00  -0.11     0.01  -0.00   0.05
     7   6    -0.07  -0.04  -0.02    -0.01  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.20   0.11   0.02     0.02   0.02  -0.02    -0.00  -0.00   0.00
     9   6    -0.05  -0.06  -0.05     0.00  -0.00   0.02     0.00  -0.00  -0.01
    10   1     0.02  -0.02  -0.00    -0.03   0.03  -0.34     0.07  -0.04   0.59
    11   1     0.03  -0.01   0.08    -0.05   0.04  -0.42    -0.07   0.04  -0.57
    12   1     0.02   0.01   0.02     0.07  -0.05   0.52     0.04  -0.03   0.37
    13   1     0.05   0.07  -0.12     0.06  -0.05   0.56    -0.04   0.03  -0.39
    14   1    -0.11  -0.11  -0.02    -0.11  -0.08  -0.02    -0.01   0.03  -0.00
    15   6    -0.05  -0.05  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.36   0.13   0.35     0.06   0.07   0.10    -0.01  -0.02  -0.02
    17   1    -0.19   0.05   0.09    -0.09  -0.07  -0.01     0.01   0.02   0.00
    18   1    -0.28   0.15   0.04    -0.06  -0.08  -0.01     0.01   0.02   0.00
    19   1    -0.25  -0.22   0.10     0.02   0.06  -0.04    -0.00  -0.02   0.01
    20   1     0.15   0.04   0.04     0.00  -0.02   0.00    -0.02   0.02  -0.01
    21   1    -0.10   0.34  -0.14    -0.00  -0.01   0.00     0.01  -0.01   0.02
    22   1     0.28  -0.22   0.15    -0.00   0.01  -0.01    -0.00  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    969.7726               982.9209              1037.2100
 Red. masses --      1.3951                 2.1838                 2.2217
 Frc consts  --      0.7730                 1.2431                 1.4082
 IR Inten    --      0.6958                 0.7782                 0.6274
 RamAct Fr= 1--      0.1458                 3.5961                22.4745
  Dep-P Fr= 1--      0.5325                 0.2923                 0.1682
  Dep-U Fr= 1--      0.6949                 0.4523                 0.2879
 Alpha2 Fr= 1--      0.0006                 0.0377                 0.3317
 Beta2  Fr= 1--      0.0169                 0.2711                 1.0785
 AlphaG Fr= 1--     -0.0069                 0.0207                -0.0512
 Gamma2 Fr= 1--     -0.0409                -1.1024                 1.1922
 Delta2 Fr= 1--      0.3024                 0.2313                -0.5121
 Raman1 Fr= 1--       0.583                 14.385                 89.898
 ROA1   Fr= 1--       5.751                -98.427                 98.059
 CID1   Fr= 1--       9.860                 -6.843                  1.091
 Raman2 Fr= 1--       0.203                  3.253                 12.942
 ROA2   Fr= 1--      -3.400                -28.307                 32.709
 CID2   Fr= 1--     -16.776                 -8.701                  2.527
 Raman3 Fr= 1--       0.405                  6.507                 25.884
 ROA3   Fr= 1--       5.751                -98.427                 98.059
 CID3   Fr= 1--      14.188                -15.128                  3.788
 RC180  Fr= 1--       0.390                 -0.095                 -0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02     0.02   0.01   0.00     0.07   0.10  -0.00
     2   6     0.02  -0.00   0.00    -0.04  -0.00   0.00     0.02  -0.00  -0.01
     3   6    -0.00   0.01  -0.03     0.01  -0.02  -0.01     0.03  -0.12   0.00
     4   6     0.00  -0.00   0.06     0.02  -0.00   0.02    -0.02  -0.01  -0.03
     5   6    -0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.12   0.04  -0.04
     6   6    -0.01   0.02  -0.01     0.01   0.01  -0.00    -0.01  -0.01   0.02
     7   6     0.01   0.02   0.03    -0.06   0.02  -0.01    -0.10   0.13   0.02
     8   6     0.02  -0.08   0.06    -0.14   0.15  -0.00     0.06  -0.00  -0.06
     9   6    -0.05   0.03  -0.09     0.17  -0.14  -0.02    -0.01  -0.02   0.05
    10   1    -0.02   0.00  -0.11     0.06  -0.02  -0.05     0.03   0.14   0.01
    11   1     0.02   0.00   0.01    -0.04  -0.02   0.02     0.04   0.00   0.02
    12   1     0.00  -0.01   0.14     0.04  -0.01   0.01    -0.01  -0.13  -0.10
    13   1     0.02   0.01   0.10     0.04   0.01   0.03    -0.06  -0.01  -0.09
    14   1     0.02   0.44   0.01    -0.13   0.22  -0.04    -0.45   0.17  -0.05
    15   6     0.03  -0.03  -0.06     0.02  -0.08  -0.01     0.14  -0.04   0.04
    16   1     0.02  -0.39  -0.19    -0.26   0.35  -0.05     0.21  -0.13   0.14
    17   1     0.13   0.26   0.06    -0.14   0.34   0.01    -0.13  -0.20  -0.04
    18   1    -0.18   0.28   0.02     0.22   0.09   0.09    -0.14  -0.15  -0.02
    19   1    -0.04  -0.17   0.13     0.39  -0.29   0.17    -0.04   0.08  -0.07
    20   1    -0.20   0.32  -0.09    -0.05   0.15  -0.02    -0.15  -0.06  -0.01
    21   1     0.06  -0.07   0.21     0.03   0.02   0.12     0.20  -0.46   0.29
    22   1     0.04  -0.14   0.23     0.14  -0.21   0.22    -0.18   0.05   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1053.0252              1102.3884              1106.3668
 Red. masses --      2.0945                 1.6201                 2.0587
 Frc consts  --      1.3684                 1.1600                 1.4847
 IR Inten    --      3.8036                 2.6229                 2.2774
 RamAct Fr= 1--     30.6601                 0.8194                 1.5647
  Dep-P Fr= 1--      0.0412                 0.6617                 0.5423
  Dep-U Fr= 1--      0.0792                 0.7964                 0.7033
 Alpha2 Fr= 1--      0.6184                 0.0013                 0.0062
 Beta2  Fr= 1--      0.4047                 0.1088                 0.1834
 AlphaG Fr= 1--      0.0311                -0.0091                 0.0267
 Gamma2 Fr= 1--     -0.8566                 0.4844                 0.2120
 Delta2 Fr= 1--     -0.8767                 0.4778                 0.3877
 Raman1 Fr= 1--     122.640                  3.278                  6.259
 ROA1   Fr= 1--    -110.285                 61.790                 32.761
 CID1   Fr= 1--      -0.899                 18.853                  5.234
 Raman2 Fr= 1--       4.856                  1.305                  2.201
 ROA2   Fr= 1--     -13.543                  7.802                  1.986
 CID2   Fr= 1--      -2.789                  5.978                  0.903
 Raman3 Fr= 1--       9.712                  2.610                  4.402
 ROA3   Fr= 1--    -110.285                 61.790                 32.761
 CID3   Fr= 1--     -11.356                 23.671                  7.443
 RC180  Fr= 1--      -0.842                  0.593                  0.407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.15   0.00    -0.03  -0.01   0.00     0.02  -0.05  -0.01
     2   6     0.17  -0.07  -0.02     0.02  -0.00  -0.00     0.01  -0.05  -0.01
     3   6    -0.07  -0.09  -0.00    -0.00   0.01   0.03    -0.02   0.13   0.01
     4   6    -0.02   0.00   0.01    -0.03   0.00  -0.09     0.02  -0.07  -0.00
     5   6     0.01  -0.03   0.01     0.06  -0.02  -0.01     0.02  -0.07  -0.05
     6   6    -0.12   0.06   0.01     0.00   0.00   0.01    -0.06   0.11   0.03
     7   6     0.03  -0.05  -0.01     0.04  -0.01   0.10    -0.05  -0.12   0.05
     8   6    -0.01   0.01   0.02     0.00  -0.01  -0.08    -0.00   0.08   0.01
     9   6     0.02   0.00  -0.02    -0.01   0.01   0.11     0.05   0.02   0.02
    10   1    -0.06   0.27   0.03    -0.06   0.02   0.03     0.29  -0.27  -0.06
    11   1     0.15  -0.28  -0.04     0.02   0.03  -0.02    -0.05  -0.39  -0.01
    12   1    -0.50  -0.26   0.06    -0.04   0.01  -0.09     0.17   0.21  -0.03
    13   1    -0.55  -0.10   0.07    -0.06  -0.02  -0.06    -0.19   0.08  -0.01
    14   1     0.14  -0.07   0.01     0.00   0.16   0.08    -0.26  -0.21   0.01
    15   6    -0.03   0.02  -0.01    -0.04  -0.03  -0.07     0.06   0.07  -0.05
    16   1    -0.06   0.07  -0.02     0.14  -0.08   0.12     0.10  -0.11   0.04
    17   1     0.04   0.08   0.02    -0.27   0.15  -0.02    -0.06   0.09   0.02
    18   1     0.07   0.07   0.01    -0.39  -0.29  -0.05    -0.01  -0.03  -0.00
    19   1     0.07  -0.03   0.03     0.46   0.25  -0.10    -0.15   0.04  -0.03
    20   1     0.02   0.02  -0.01    -0.08   0.30  -0.08    -0.27   0.11  -0.11
    21   1    -0.04   0.10  -0.06    -0.05   0.20   0.06     0.11  -0.27   0.17
    22   1     0.01   0.01  -0.03     0.13  -0.18   0.19    -0.25   0.16  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1130.4591              1182.3228              1184.7116
 Red. masses --      2.1900                 1.2158                 1.5869
 Frc consts  --      1.6489                 1.0013                 1.3123
 IR Inten    --      0.2800                 0.3149                 0.2666
 RamAct Fr= 1--      1.7248                 5.8646                 3.3926
  Dep-P Fr= 1--      0.6016                 0.3086                 0.5768
  Dep-U Fr= 1--      0.7513                 0.4716                 0.7316
 Alpha2 Fr= 1--      0.0047                 0.0586                 0.0110
 Beta2  Fr= 1--      0.2160                 0.4610                 0.4137
 AlphaG Fr= 1--      0.0361                -0.0356                 0.0063
 Gamma2 Fr= 1--      0.4671                 0.6751                -0.5138
 Delta2 Fr= 1--      0.0702                 0.3139                -0.2470
 Raman1 Fr= 1--       6.899                 23.458                 13.570
 ROA1   Fr= 1--      47.092                 74.850                -57.233
 CID1   Fr= 1--       6.826                  3.191                 -4.217
 Raman2 Fr= 1--       2.592                  5.531                  4.964
 ROA2   Fr= 1--      10.649                 13.690                -10.357
 CID2   Fr= 1--       4.109                  2.475                 -2.086
 Raman3 Fr= 1--       5.183                 11.063                  9.928
 ROA3   Fr= 1--      47.092                 74.850                -57.233
 CID3   Fr= 1--       9.085                  6.766                 -5.765
 RC180  Fr= 1--       0.503                 -0.057                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.00     0.01  -0.05  -0.00     0.08  -0.01  -0.01
     2   6     0.04  -0.04  -0.01     0.02   0.07   0.00    -0.05   0.00   0.01
     3   6    -0.01   0.09   0.01    -0.06   0.00   0.01     0.05   0.01  -0.00
     4   6    -0.02  -0.10  -0.02     0.00  -0.02   0.01     0.06   0.10  -0.00
     5   6     0.06  -0.04   0.03     0.06  -0.01  -0.02    -0.08   0.03   0.01
     6   6    -0.07   0.08   0.00     0.01  -0.00   0.00    -0.07  -0.05   0.00
     7   6    -0.05   0.19  -0.08    -0.03   0.01   0.01     0.04   0.01   0.02
     8   6    -0.03  -0.01  -0.03    -0.02   0.03  -0.01     0.03  -0.06  -0.00
     9   6     0.03   0.03   0.02     0.02  -0.01   0.01    -0.06  -0.01  -0.01
    10   1     0.17  -0.18  -0.03     0.29  -0.28  -0.06     0.53  -0.38  -0.08
    11   1    -0.01  -0.28  -0.03     0.12   0.67   0.04    -0.05   0.01   0.00
    12   1     0.18   0.16   0.00    -0.47  -0.16   0.04     0.17   0.06  -0.01
    13   1    -0.29  -0.01   0.07    -0.16  -0.07   0.01    -0.51  -0.21   0.03
    14   1     0.11   0.38  -0.06    -0.10  -0.01  -0.00     0.08   0.03   0.03
    15   6    -0.02  -0.10   0.10     0.01  -0.01  -0.00    -0.01  -0.01  -0.01
    16   1     0.08  -0.33  -0.07     0.05  -0.13  -0.01    -0.12   0.33   0.04
    17   1     0.00  -0.17  -0.05    -0.03  -0.05  -0.02     0.03  -0.03   0.00
    18   1     0.05  -0.04  -0.01     0.10  -0.01   0.01    -0.12   0.01  -0.01
    19   1    -0.01   0.06  -0.03    -0.15  -0.01  -0.02     0.09  -0.02   0.01
    20   1     0.30  -0.23   0.16    -0.02   0.01  -0.01     0.02   0.05  -0.01
    21   1    -0.07   0.16  -0.14     0.01  -0.01   0.02    -0.02   0.07   0.00
    22   1     0.21  -0.13   0.01    -0.01  -0.01   0.02     0.03  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1194.1833              1217.7573              1242.5518
 Red. masses --      1.5167                 1.5827                 1.9720
 Frc consts  --      1.2743                 1.3828                 1.7939
 IR Inten    --      0.7081                 0.0174                 2.8113
 RamAct Fr= 1--      1.5535                13.3875                27.9250
  Dep-P Fr= 1--      0.5326                 0.2086                 0.0762
  Dep-U Fr= 1--      0.6951                 0.3452                 0.1416
 Alpha2 Fr= 1--      0.0065                 0.1777                 0.5181
 Beta2  Fr= 1--      0.1800                 0.7702                 0.6589
 AlphaG Fr= 1--     -0.0009                -0.0584                -0.0267
 Gamma2 Fr= 1--     -0.3177                 2.4719                -1.7201
 Delta2 Fr= 1--      0.0091                 0.7931                -0.4693
 Raman1 Fr= 1--       6.214                 53.550                111.700
 ROA1   Fr= 1--     -30.212                262.683               -180.151
 CID1   Fr= 1--      -4.862                  4.905                 -1.613
 Raman2 Fr= 1--       2.160                  9.243                  7.907
 ROA2   Fr= 1--      -7.698                 52.981                -37.528
 CID2   Fr= 1--      -3.565                  5.732                 -4.746
 Raman3 Fr= 1--       4.319                 18.485                 15.814
 ROA3   Fr= 1--     -30.212                262.683               -180.151
 CID3   Fr= 1--      -6.995                 14.210                -11.392
 RC180  Fr= 1--       0.390                 -0.310                 -0.717
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.08   0.00  -0.01
     2   6     0.01  -0.02  -0.00     0.06   0.02  -0.01     0.04   0.05  -0.00
     3   6    -0.01   0.02  -0.00    -0.02  -0.02   0.00    -0.03  -0.06  -0.01
     4   6     0.00  -0.02   0.05    -0.12  -0.11  -0.00    -0.07  -0.11   0.02
     5   6     0.06   0.00  -0.06    -0.01  -0.02  -0.01    -0.16   0.03   0.05
     6   6     0.01   0.00   0.01    -0.01   0.04   0.01    -0.07   0.02   0.00
     7   6     0.03   0.07   0.13    -0.01   0.00  -0.02     0.07  -0.02   0.03
     8   6    -0.00  -0.04  -0.07     0.04  -0.02   0.07    -0.02   0.02  -0.07
     9   6    -0.03   0.02  -0.03    -0.05   0.07  -0.05     0.04   0.04   0.03
    10   1    -0.14   0.08   0.01     0.08  -0.08  -0.01     0.18  -0.08  -0.02
    11   1    -0.00  -0.12   0.00     0.11   0.26   0.01     0.06   0.13   0.01
    12   1     0.03   0.03   0.02     0.24   0.07  -0.02     0.27   0.04  -0.01
    13   1    -0.08  -0.03  -0.02     0.06   0.07  -0.01     0.29   0.15   0.00
    14   1    -0.34  -0.07   0.06    -0.24  -0.12  -0.06     0.57  -0.03   0.14
    15   6    -0.02  -0.04  -0.05     0.01   0.01   0.02    -0.02  -0.00  -0.06
    16   1    -0.08   0.33   0.09    -0.12   0.29   0.01     0.11  -0.14   0.04
    17   1     0.03  -0.46  -0.09     0.19  -0.05   0.04    -0.11  -0.02  -0.05
    18   1     0.53   0.09   0.02     0.01   0.14  -0.01     0.41  -0.02   0.02
    19   1    -0.19  -0.03   0.00     0.73   0.06   0.06    -0.22   0.08  -0.05
    20   1    -0.04   0.20  -0.05     0.01  -0.07   0.02    -0.04   0.17  -0.06
    21   1    -0.02   0.13   0.09     0.01  -0.04  -0.01    -0.00   0.05   0.05
    22   1     0.07  -0.13   0.14    -0.03   0.04  -0.04     0.05  -0.07   0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1297.0190              1305.9485              1324.7066
 Red. masses --      1.3692                 1.6613                 1.3799
 Frc consts  --      1.3571                 1.6694                 1.4267
 IR Inten    --      1.3353                 0.3038                 1.5608
 RamAct Fr= 1--      4.2428                 5.7510                 3.8921
  Dep-P Fr= 1--      0.2244                 0.3995                 0.2766
  Dep-U Fr= 1--      0.3666                 0.5709                 0.4334
 Alpha2 Fr= 1--      0.0540                 0.0427                 0.0428
 Beta2  Fr= 1--      0.2592                 0.5472                 0.2811
 AlphaG Fr= 1--     -0.0618                 0.0248                 0.0336
 Gamma2 Fr= 1--      1.2062                -0.0348                -0.7090
 Delta2 Fr= 1--      0.7455                -0.7297                -0.5145
 Raman1 Fr= 1--      16.971                 23.004                 15.568
 ROA1   Fr= 1--     139.648                -26.689                -84.532
 CID1   Fr= 1--       8.228                 -1.160                 -5.430
 Raman2 Fr= 1--       3.111                  6.567                  3.374
 ROA2   Fr= 1--      22.983                  5.003                -12.901
 CID2   Fr= 1--       7.389                  0.762                 -3.824
 Raman3 Fr= 1--       6.221                 13.134                  6.747
 ROA3   Fr= 1--     139.648                -26.689                -84.532
 CID3   Fr= 1--      22.447                 -2.032                -12.529
 RC180  Fr= 1--      -0.267                  0.142                 -0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.04   0.01     0.03  -0.03  -0.00
     2   6     0.01  -0.04  -0.00    -0.01  -0.04  -0.00     0.01   0.04   0.00
     3   6     0.02  -0.03  -0.01     0.05   0.03  -0.01    -0.04  -0.01   0.00
     4   6    -0.08   0.07   0.03    -0.02   0.04   0.02     0.03  -0.04   0.00
     5   6     0.04   0.06  -0.00     0.00  -0.11   0.01    -0.01   0.04  -0.02
     6   6     0.04  -0.02  -0.01     0.04   0.03  -0.01    -0.04  -0.01   0.01
     7   6    -0.00  -0.00  -0.03    -0.09  -0.07  -0.01     0.08  -0.01  -0.03
     8   6     0.01   0.05  -0.00     0.08  -0.02  -0.07     0.01  -0.10  -0.02
     9   6    -0.07  -0.05   0.02    -0.09  -0.00   0.02     0.01   0.03   0.04
    10   1    -0.11   0.06   0.01     0.11  -0.08  -0.02    -0.03   0.03   0.00
    11   1     0.04   0.15   0.01     0.01   0.05   0.00    -0.00  -0.05  -0.00
    12   1     0.37   0.10  -0.03    -0.15  -0.05   0.02     0.03   0.02  -0.01
    13   1    -0.41  -0.19   0.03     0.11   0.06   0.01     0.04   0.02  -0.01
    14   1    -0.03  -0.23  -0.02     0.28   0.61   0.03    -0.52   0.15  -0.15
    15   6     0.01  -0.00  -0.00     0.02   0.03   0.03    -0.02   0.01   0.04
    16   1     0.19  -0.42  -0.03     0.06   0.27   0.13    -0.06   0.13   0.02
    17   1    -0.12   0.25   0.03    -0.18   0.15  -0.01    -0.23   0.66   0.06
    18   1     0.45  -0.02   0.05     0.47   0.02   0.05     0.18  -0.05   0.00
    19   1     0.12  -0.03   0.01     0.12   0.06  -0.02    -0.21   0.07  -0.04
    20   1    -0.02   0.02  -0.01    -0.04  -0.11   0.02     0.09  -0.05   0.06
    21   1     0.01  -0.01   0.00     0.01  -0.07  -0.05    -0.04   0.04  -0.10
    22   1    -0.02   0.01  -0.01    -0.08   0.08  -0.05     0.04   0.06  -0.12
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1335.0554              1358.9384              1367.5134
 Red. masses --      1.5676                 3.2740                 1.6180
 Frc consts  --      1.6462                 3.5623                 1.7827
 IR Inten    --      2.2313                 5.1057                 4.5271
 RamAct Fr= 1--      1.8864                14.5767                 9.7374
  Dep-P Fr= 1--      0.7190                 0.0941                 0.4854
  Dep-U Fr= 1--      0.8365                 0.1720                 0.6536
 Alpha2 Fr= 1--      0.0010                 0.2589                 0.0514
 Beta2  Fr= 1--      0.2630                 0.4178                 1.0607
 AlphaG Fr= 1--      0.0160                -0.0202                 0.0604
 Gamma2 Fr= 1--      0.7037                -0.4491                 1.4539
 Delta2 Fr= 1--      0.0766                -0.3291                 0.6705
 Raman1 Fr= 1--       7.546                 58.307                 38.950
 ROA1   Fr= 1--      70.009                -53.646                161.032
 CID1   Fr= 1--       9.278                 -0.920                  4.134
 Raman2 Fr= 1--       3.156                  5.014                 12.729
 ROA2   Fr= 1--      16.277                 -8.146                 29.530
 CID2   Fr= 1--       5.157                 -1.625                  2.320
 Raman3 Fr= 1--       6.312                 10.028                 25.457
 ROA3   Fr= 1--      70.009                -53.646                161.032
 CID3   Fr= 1--      11.091                 -5.350                  6.326
 RC180  Fr= 1--       0.673                 -0.656                  0.307
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.01     0.09  -0.12  -0.02     0.03  -0.01  -0.00
     2   6     0.02   0.01  -0.00    -0.01   0.17   0.01    -0.00   0.02   0.00
     3   6    -0.07  -0.03   0.01    -0.11  -0.02   0.01    -0.02  -0.02   0.00
     4   6    -0.05  -0.02  -0.00     0.21  -0.07  -0.03     0.01   0.02   0.00
     5   6     0.07   0.09   0.01     0.10   0.14   0.01    -0.02   0.04  -0.01
     6   6     0.02  -0.00  -0.00    -0.13  -0.06   0.01    -0.03  -0.02   0.00
     7   6    -0.09  -0.06   0.01    -0.13   0.00  -0.01     0.11  -0.14   0.02
     8   6     0.01  -0.04  -0.02     0.03   0.02   0.01    -0.04   0.11  -0.01
     9   6     0.09   0.02  -0.00    -0.15  -0.03   0.00    -0.02  -0.03  -0.01
    10   1    -0.26   0.17   0.04    -0.18   0.10   0.03    -0.01   0.02   0.00
    11   1     0.06   0.19   0.01    -0.12  -0.40  -0.02    -0.00  -0.00  -0.00
    12   1     0.36   0.13  -0.03    -0.18  -0.05   0.02     0.09   0.02  -0.01
    13   1    -0.36  -0.15   0.04     0.11   0.03  -0.00     0.01  -0.00  -0.01
    14   1     0.26   0.34   0.06     0.32  -0.04   0.08    -0.35   0.63  -0.11
    15   6     0.03   0.01   0.01     0.04   0.01  -0.02    -0.04   0.04   0.04
    16   1    -0.12   0.35   0.04     0.04  -0.04  -0.03     0.13  -0.26   0.00
    17   1    -0.01  -0.08  -0.02    -0.06  -0.03   0.02     0.16  -0.47  -0.08
    18   1    -0.26   0.02  -0.02     0.34  -0.04   0.01     0.00   0.04   0.02
    19   1    -0.28   0.00  -0.03     0.49   0.01   0.04     0.11  -0.01  -0.01
    20   1    -0.11  -0.03  -0.02    -0.10  -0.06  -0.04     0.07  -0.09   0.05
    21   1     0.02  -0.02  -0.02     0.06  -0.11   0.06    -0.06   0.00  -0.13
    22   1    -0.12   0.06  -0.00    -0.07  -0.01   0.09     0.06   0.06  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1413.0918              1483.8545              1491.6230
 Red. masses --      1.2311                 1.1182                 1.4232
 Frc consts  --      1.4484                 1.4506                 1.8656
 IR Inten    --      3.6476                 2.9737                 5.5882
 RamAct Fr= 1--      0.6033                13.9046                 4.1222
  Dep-P Fr= 1--      0.7457                 0.5450                 0.7379
  Dep-U Fr= 1--      0.8543                 0.7055                 0.8492
 Alpha2 Fr= 1--      0.0000                 0.0547                 0.0009
 Beta2  Fr= 1--      0.0859                 1.6349                 0.5834
 AlphaG Fr= 1--     -0.0006                -0.0100                -0.0052
 Gamma2 Fr= 1--      0.1924                -2.3447                -3.5475
 Delta2 Fr= 1--     -0.0604                -1.4389                 1.3970
 Raman1 Fr= 1--       2.413                 55.618                 16.489
 ROA1   Fr= 1--      16.541               -271.135               -295.854
 CID1   Fr= 1--       6.854                 -4.875                -17.943
 Raman2 Fr= 1--       1.031                 19.619                  7.001
 ROA2   Fr= 1--       5.101                -44.761                -96.316
 CID2   Fr= 1--       4.949                 -2.282                -13.758
 Raman3 Fr= 1--       2.062                 39.238                 14.002
 ROA3   Fr= 1--      16.541               -271.135               -295.854
 CID3   Fr= 1--       8.023                 -6.910                -21.129
 RC180  Fr= 1--       0.709                  0.411                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.00     0.09  -0.03  -0.01
     2   6    -0.00   0.01   0.00     0.01   0.01  -0.00    -0.05  -0.08  -0.00
     3   6     0.01  -0.00  -0.00    -0.02  -0.02   0.00    -0.03   0.05   0.01
     4   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.00  -0.01
     5   6    -0.01   0.00   0.00     0.02  -0.02  -0.00    -0.04  -0.05   0.00
     6   6    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.01   0.05   0.01
     7   6    -0.00   0.01  -0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
     8   6    -0.00   0.01   0.00     0.04   0.01   0.02     0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.00     0.01  -0.07   0.01    -0.02   0.00  -0.00
    10   1     0.02  -0.02  -0.00     0.05  -0.04  -0.01    -0.25   0.26   0.05
    11   1    -0.01  -0.03  -0.00     0.01  -0.02  -0.00     0.01   0.34   0.02
    12   1    -0.03  -0.01   0.00     0.07   0.02  -0.01     0.01   0.07   0.00
    13   1     0.04   0.01  -0.00     0.09   0.03  -0.01    -0.06   0.05   0.01
    14   1    -0.00  -0.00  -0.01    -0.02  -0.02  -0.00     0.02   0.01  -0.00
    15   6     0.07  -0.10   0.06     0.00  -0.01  -0.00    -0.03  -0.04  -0.01
    16   1     0.03  -0.04   0.02    -0.16  -0.02  -0.35    -0.03   0.01  -0.06
    17   1     0.04  -0.03  -0.00    -0.36  -0.12   0.08    -0.06  -0.04   0.02
    18   1    -0.00   0.00  -0.00    -0.06   0.51   0.26     0.02  -0.04  -0.02
    19   1     0.03  -0.01   0.01    -0.02   0.36  -0.44     0.06  -0.02   0.03
    20   1    -0.35   0.45  -0.03     0.05   0.00   0.01     0.49   0.31   0.09
    21   1    -0.05   0.47  -0.32     0.00   0.06   0.06     0.03   0.04   0.45
    22   1    -0.36   0.22  -0.36    -0.06   0.01  -0.00    -0.08   0.14  -0.34
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1499.0883              1499.5237              1503.0984
 Red. masses --      1.1196                 1.3717                 1.1064
 Frc consts  --      1.4825                 1.8172                 1.4727
 IR Inten    --      2.6461                 2.2977                 9.0771
 RamAct Fr= 1--      7.7233                 5.4634                 6.2206
  Dep-P Fr= 1--      0.2309                 0.7222                 0.7332
  Dep-U Fr= 1--      0.3752                 0.8387                 0.8460
 Alpha2 Fr= 1--      0.0965                 0.0026                 0.0018
 Beta2  Fr= 1--      0.4829                 0.7637                 0.8772
 AlphaG Fr= 1--     -0.0891                 0.0035                -0.0003
 Gamma2 Fr= 1--      0.0691                 5.2250                -2.1161
 Delta2 Fr= 1--      0.9780                 0.0854                -0.9247
 Raman1 Fr= 1--      30.893                 21.854                 24.882
 ROA1   Fr= 1--      37.927                504.336               -232.732
 CID1   Fr= 1--       1.228                 23.078                 -9.353
 Raman2 Fr= 1--       5.795                  9.164                 10.526
 ROA2   Fr= 1--      -6.166                124.717                -43.389
 CID2   Fr= 1--      -1.064                 13.609                 -4.122
 Raman3 Fr= 1--      11.590                 18.328                 21.052
 ROA3   Fr= 1--      37.927                504.336               -232.732
 CID3   Fr= 1--       3.272                 27.517                -11.055
 RC180  Fr= 1--      -0.250                  0.677                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.00    -0.08   0.01   0.01    -0.03   0.01   0.00
     2   6    -0.02  -0.02   0.00     0.04   0.08   0.00     0.02   0.02  -0.00
     3   6    -0.01   0.01   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6     0.03   0.00  -0.00    -0.06  -0.01   0.01    -0.02   0.01   0.00
     5   6    -0.00  -0.02  -0.00     0.03   0.05   0.00     0.03   0.01  -0.00
     6   6    -0.01   0.02   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     7   6    -0.02   0.02   0.01    -0.03  -0.03  -0.01    -0.02  -0.00   0.01
     8   6    -0.05  -0.02  -0.02    -0.03  -0.00  -0.01     0.04   0.01   0.01
     9   6    -0.01  -0.04   0.01     0.02  -0.01  -0.00     0.01   0.02  -0.00
    10   1    -0.08   0.08   0.02     0.17  -0.21  -0.03     0.09  -0.08  -0.02
    11   1     0.00   0.10   0.01    -0.03  -0.33  -0.02     0.01  -0.09  -0.01
    12   1     0.00   0.02   0.00    -0.06  -0.08   0.00     0.03  -0.01  -0.00
    13   1    -0.03   0.01   0.00    -0.01  -0.06  -0.00     0.03  -0.01  -0.01
    14   1     0.04  -0.06   0.03     0.03   0.05  -0.00     0.04  -0.01   0.03
    15   6    -0.01   0.01   0.02    -0.02  -0.02  -0.02    -0.03   0.00   0.03
    16   1     0.16   0.03   0.38     0.12   0.02   0.26    -0.13   0.02  -0.27
    17   1     0.38   0.15  -0.08     0.27   0.10  -0.05    -0.28  -0.13   0.06
    18   1    -0.02   0.30   0.15    -0.02   0.11   0.05    -0.00  -0.16  -0.08
    19   1     0.02   0.22  -0.27    -0.02   0.06  -0.09    -0.02  -0.12   0.15
    20   1    -0.15   0.20  -0.02     0.46   0.22   0.08    -0.00   0.40   0.02
    21   1    -0.01  -0.32  -0.24     0.04   0.04   0.46     0.00  -0.42  -0.14
    22   1     0.36  -0.04  -0.16    -0.12   0.12  -0.26     0.45   0.03  -0.39
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1515.4996              1628.0046              1650.5991
 Red. masses --      2.3931                 6.2034                 6.3481
 Frc consts  --      3.2383                 9.6871                10.1900
 IR Inten    --     16.8126                 0.4329                 1.1794
 RamAct Fr= 1--      2.2465                15.8333                26.3731
  Dep-P Fr= 1--      0.3910                 0.6159                 0.7347
  Dep-U Fr= 1--      0.5622                 0.7623                 0.8471
 Alpha2 Fr= 1--      0.0172                 0.0389                 0.0069
 Beta2  Fr= 1--      0.2105                 2.0117                 3.7234
 AlphaG Fr= 1--     -0.0180                -0.0405                 0.0241
 Gamma2 Fr= 1--      0.2758                 0.2071                 0.3894
 Delta2 Fr= 1--      0.0170                -0.6082                -0.1319
 Raman1 Fr= 1--       8.986                 63.333                105.492
 ROA1   Fr= 1--      27.016                  0.421                 33.164
 CID1   Fr= 1--       3.007                  0.007                  0.314
 Raman2 Fr= 1--       2.526                 24.140                 44.681
 ROA2   Fr= 1--       6.482                  9.837                 10.402
 CID2   Fr= 1--       2.566                  0.407                  0.233
 Raman3 Fr= 1--       5.052                 48.281                 89.362
 ROA3   Fr= 1--      27.016                  0.421                 33.164
 CID3   Fr= 1--       5.348                  0.009                  0.371
 RC180  Fr= 1--       0.124                  0.525                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.00     0.18  -0.28  -0.04     0.20  -0.01  -0.02
     2   6     0.07  -0.03  -0.01    -0.03   0.34   0.03    -0.14  -0.12   0.01
     3   6    -0.15  -0.07   0.01     0.09  -0.14  -0.02     0.33   0.11  -0.03
     4   6     0.02   0.17   0.01    -0.19   0.23   0.04    -0.29  -0.03   0.03
     5   6     0.13  -0.10  -0.02    -0.00  -0.31  -0.02     0.23   0.16  -0.01
     6   6    -0.15  -0.06   0.01    -0.01   0.17   0.01    -0.32  -0.13   0.03
     7   6    -0.03   0.03   0.00     0.01   0.03   0.00    -0.03  -0.02   0.00
     8   6    -0.02  -0.01  -0.01     0.02   0.00  -0.00     0.00  -0.01  -0.00
     9   6    -0.00  -0.02  -0.01     0.03  -0.01  -0.01     0.04   0.01  -0.00
    10   1     0.24  -0.09  -0.03    -0.39   0.18   0.06    -0.05   0.21   0.02
    11   1     0.12   0.17  -0.00    -0.17  -0.42  -0.01    -0.11   0.18   0.02
    12   1     0.50   0.19  -0.04    -0.02  -0.20  -0.01    -0.41  -0.18   0.03
    13   1     0.52   0.19  -0.04    -0.18   0.12   0.03     0.43   0.15  -0.03
    14   1    -0.04  -0.04  -0.00    -0.04  -0.04  -0.01    -0.02   0.02  -0.00
    15   6    -0.00  -0.01  -0.01    -0.01  -0.00   0.00     0.00   0.01  -0.00
    16   1     0.08   0.01   0.17     0.02   0.01   0.00    -0.01   0.03   0.00
    17   1     0.17   0.07  -0.03    -0.01  -0.00   0.00    -0.01   0.03   0.00
    18   1    -0.06  -0.14  -0.06    -0.05  -0.07  -0.04    -0.00   0.02   0.01
    19   1    -0.11  -0.14   0.11    -0.14  -0.09   0.07    -0.08  -0.00  -0.01
    20   1     0.07  -0.02   0.01    -0.01  -0.02   0.00     0.03   0.01   0.00
    21   1     0.00   0.06   0.09    -0.01   0.02  -0.04     0.01  -0.04   0.05
    22   1    -0.07   0.01   0.02     0.03  -0.02   0.03    -0.01   0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   2975.1996              3010.4162              3027.1549
 Red. masses --      1.0817                 1.0712                 1.0386
 Frc consts  --      5.6412                 5.7196                 5.6073
 IR Inten    --     22.0783                29.9334                13.4248
 RamAct Fr= 1--    218.3908               230.1636               123.5306
  Dep-P Fr= 1--      0.1784                 0.1654                 0.0363
  Dep-U Fr= 1--      0.3028                 0.2838                 0.0700
 Alpha2 Fr= 1--      3.1388                 3.4210                 2.5209
 Beta2  Fr= 1--     11.0206                10.8885                 1.4416
 AlphaG Fr= 1--      0.1359                -0.2084                 0.0075
 Gamma2 Fr= 1--      6.8954                -8.6084                 4.7823
 Delta2 Fr= 1--      1.1204                 7.3044                 4.4293
 Raman1 Fr= 1--     873.563                920.654                494.122
 ROA1   Fr= 1--     697.806               -592.669                600.834
 CID1   Fr= 1--       0.799                 -0.644                  1.216
 Raman2 Fr= 1--     132.247                130.661                 17.299
 ROA2   Fr= 1--     156.526               -265.038                 79.340
 CID2   Fr= 1--       1.184                 -2.028                  4.586
 Raman3 Fr= 1--     264.495                261.323                 34.599
 ROA3   Fr= 1--     697.806               -592.669                600.834
 CID3   Fr= 1--       2.638                 -2.268                 17.366
 RC180  Fr= 1--      -0.394                 -0.432                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.08    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01     0.01   0.00   0.02
     9   6    -0.00   0.00  -0.00     0.00   0.05  -0.06     0.00  -0.01   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    14   1    -0.19   0.05   0.96     0.01  -0.00  -0.04     0.00   0.00  -0.02
    15   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.03
    16   1     0.04   0.01  -0.02     0.04   0.02  -0.02    -0.11  -0.05   0.07
    17   1    -0.02   0.01  -0.11    -0.03   0.01  -0.14    -0.05   0.02  -0.32
    18   1    -0.00  -0.01   0.02    -0.04  -0.39   0.87     0.00   0.02  -0.06
    19   1    -0.00   0.00   0.00     0.02  -0.14  -0.16    -0.00   0.05   0.05
    20   1     0.02  -0.00  -0.08    -0.01   0.00   0.03    -0.12   0.01   0.57
    21   1     0.03   0.01  -0.00     0.02   0.00  -0.00     0.53   0.06  -0.07
    22   1    -0.01  -0.03  -0.01    -0.00  -0.01  -0.01    -0.14  -0.42  -0.19
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3032.3421              3072.4018              3087.7679
 Red. masses --      1.0614                 1.0903                 1.1012
 Frc consts  --      5.7504                 6.0640                 6.1862
 IR Inten    --     48.5007                32.5621                 3.5992
 RamAct Fr= 1--    143.7052               161.6266                56.8308
  Dep-P Fr= 1--      0.0862                 0.2265                 0.6140
  Dep-U Fr= 1--      0.1587                 0.3693                 0.7608
 Alpha2 Fr= 1--      2.6020                 2.0443                 0.1419
 Beta2  Fr= 1--      3.8022                 9.9478                 7.2066
 AlphaG Fr= 1--      0.1549                -2.0710                 0.0820
 Gamma2 Fr= 1--     -6.6309               -14.1047               -51.9670
 Delta2 Fr= 1--     -9.6772                -8.7524               -36.1668
 Raman1 Fr= 1--     574.821                646.506                227.323
 ROA1   Fr= 1--    -946.235              -1634.127              -6146.165
 CID1   Fr= 1--      -1.646                 -2.528                -27.037
 Raman2 Fr= 1--      45.626                119.373                 86.479
 ROA2   Fr= 1--     -81.724               -268.493               -957.873
 CID2   Fr= 1--      -1.791                 -2.249                -11.076
 Raman3 Fr= 1--      91.252                238.746                172.958
 ROA3   Fr= 1--    -946.235              -1634.127              -6146.165
 CID3   Fr= 1--     -10.369                 -6.845                -35.536
 RC180  Fr= 1--      -0.683                 -0.261                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.03  -0.01  -0.05    -0.02  -0.01   0.00    -0.04  -0.02   0.05
     9   6    -0.00   0.01   0.01     0.01  -0.05  -0.07    -0.00   0.00   0.02
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    13   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.00   0.07     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    15   6    -0.01   0.01  -0.01     0.00   0.00  -0.00     0.04  -0.00  -0.05
    16   1     0.27   0.12  -0.17     0.20   0.08  -0.11     0.54   0.23  -0.29
    17   1     0.14  -0.05   0.82     0.01  -0.01   0.09    -0.05   0.01  -0.25
    18   1    -0.00  -0.02   0.06    -0.01  -0.10   0.17     0.00   0.05  -0.09
    19   1     0.01  -0.13  -0.13    -0.08   0.69   0.63     0.01  -0.10  -0.09
    20   1    -0.04   0.00   0.20    -0.00  -0.00   0.02    -0.09   0.01   0.49
    21   1     0.21   0.02  -0.03    -0.00  -0.00   0.00    -0.47  -0.05   0.05
    22   1    -0.06  -0.20  -0.08    -0.00  -0.01  -0.00     0.03   0.06   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9642              3093.2323              3160.9321
 Red. masses --      1.1009                 1.1013                 1.0856
 Frc consts  --      6.1929                 6.2082                 6.3910
 IR Inten    --     54.3604                47.0453                 5.9444
 RamAct Fr= 1--    170.0116                97.0758                34.0608
  Dep-P Fr= 1--      0.5817                 0.4467                 0.6129
  Dep-U Fr= 1--      0.7355                 0.6176                 0.7600
 Alpha2 Fr= 1--      0.5361                 0.6030                 0.0858
 Beta2  Fr= 1--     20.8413                 9.9916                 4.3146
 AlphaG Fr= 1--      0.7283                -0.8058                -0.0386
 Gamma2 Fr= 1--     14.1714                51.7568                -0.3926
 Delta2 Fr= 1--      1.0775                44.2713                 0.6593
 Raman1 Fr= 1--     680.046                388.303                136.243
 ROA1   Fr= 1--    1394.935               6385.332                -16.595
 CID1   Fr= 1--       2.051                 16.444                 -0.122
 Raman2 Fr= 1--     250.096                119.899                 51.775
 ROA2   Fr= 1--     331.493                887.992                -14.698
 CID2   Fr= 1--       1.325                  7.406                 -0.284
 Raman3 Fr= 1--     500.191                239.798                103.549
 ROA3   Fr= 1--    1394.935               6385.332                -16.595
 CID3   Fr= 1--       2.789                 26.628                 -0.160
 RC180  Fr= 1--       0.471                  0.235                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.03  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04   0.01   0.01
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.01
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   6    -0.03  -0.01   0.03     0.03   0.01  -0.03     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.26  -0.31   0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.49  -0.08  -0.06
    12   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.23   0.62   0.08
    13   1     0.01  -0.02  -0.00     0.01  -0.02  -0.00    -0.12   0.33   0.04
    14   1     0.01  -0.00  -0.04    -0.02   0.01   0.11    -0.00   0.00   0.00
    15   6    -0.07  -0.05  -0.00     0.00  -0.04  -0.07    -0.00  -0.00  -0.00
    16   1     0.34   0.14  -0.18    -0.38  -0.16   0.20    -0.00  -0.00   0.00
    17   1    -0.03   0.01  -0.15     0.04  -0.01   0.21     0.00   0.00   0.00
    18   1     0.00   0.03  -0.05    -0.00  -0.03   0.06     0.00   0.00  -0.00
    19   1     0.01  -0.05  -0.05    -0.01   0.06   0.05     0.00   0.01   0.01
    20   1     0.00  -0.01  -0.10    -0.12  -0.01   0.57    -0.00  -0.00   0.00
    21   1     0.65   0.06  -0.09    -0.09  -0.02  -0.00     0.00   0.00  -0.00
    22   1     0.16   0.53   0.23     0.17   0.53   0.21     0.00   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3167.0193              3178.1278              3191.0599
 Red. masses --      1.0880                 1.0920                 1.0966
 Frc consts  --      6.4296                 6.4987                 6.5791
 IR Inten    --      2.1158                28.2482                22.0176
 RamAct Fr= 1--    145.1083                65.6378               305.5407
  Dep-P Fr= 1--      0.5678                 0.7462                 0.1118
  Dep-U Fr= 1--      0.7243                 0.8546                 0.2010
 Alpha2 Fr= 1--      0.4997                 0.0043                 5.1973
 Beta2  Fr= 1--     17.5172                 9.3494                10.2374
 AlphaG Fr= 1--      0.0290                -0.0185                 0.3416
 Gamma2 Fr= 1--      0.5465                 0.2136                 2.7870
 Delta2 Fr= 1--      0.4327                -3.1799                 2.7722
 Raman1 Fr= 1--     580.433                262.551               1222.163
 ROA1   Fr= 1--      66.311                -81.247                356.265
 CID1   Fr= 1--       0.114                 -0.309                  0.292
 Raman2 Fr= 1--     210.206                112.193                122.849
 ROA2   Fr= 1--       9.654                 30.566                 44.711
 CID2   Fr= 1--       0.046                  0.272                  0.364
 Raman3 Fr= 1--     420.413                224.386                245.698
 ROA3   Fr= 1--      66.311                -81.247                356.265
 CID3   Fr= 1--       0.158                 -0.362                  1.450
 RC180  Fr= 1--       0.449                  0.709                 -0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.00     0.03   0.03  -0.00    -0.04  -0.05   0.00
     2   6     0.01  -0.00  -0.00    -0.05   0.01   0.01    -0.06   0.01   0.01
     3   6    -0.02   0.05   0.01    -0.01   0.03   0.00    -0.01   0.02   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.02   0.04   0.01     0.01  -0.02  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   1    -0.28  -0.34   0.01    -0.30  -0.35   0.01     0.42   0.50  -0.01
    11   1    -0.09   0.02   0.01     0.55  -0.09  -0.07     0.63  -0.10  -0.08
    12   1     0.20  -0.52  -0.06     0.14  -0.38  -0.05     0.08  -0.23  -0.03
    13   1    -0.23   0.65   0.07     0.18  -0.51  -0.06    -0.10   0.28   0.03
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.01   0.02   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   754.660911465.567862134.52425
           X            0.99990  -0.01400   0.00153
           Y            0.01401   0.99990  -0.00236
           Z           -0.00150   0.00238   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11477     0.05910     0.04058
 Rotational constants (GHZ):           2.39146     1.23143     0.84550
 Zero-point vibrational energy     504249.2 (Joules/Mol)
                                  120.51845 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.01   214.52   304.21   342.74   380.22
          (Kelvin)            571.91   609.32   660.34   748.09   768.79
                              853.78   894.16  1054.05  1081.05  1104.70
                             1172.50  1234.12  1268.81  1321.23  1346.69
                             1383.98  1395.29  1414.20  1492.31  1515.07
                             1586.09  1591.81  1626.48  1701.10  1704.54
                             1718.16  1752.08  1787.75  1866.12  1878.97
                             1905.96  1920.85  1955.21  1967.55  2033.12
                             2134.94  2146.11  2156.85  2157.48  2162.62
                             2180.47  2342.34  2374.84  4280.65  4331.32
                             4355.40  4362.86  4420.50  4442.61  4445.77
                             4450.47  4547.88  4556.63  4572.62  4591.22
 
 Zero-point correction=                           0.192058 (Hartree/Particle)
 Thermal correction to Energy=                    0.200364
 Thermal correction to Enthalpy=                  0.201308
 Thermal correction to Gibbs Free Energy=         0.159215
 Sum of electronic and zero-point Energies=           -388.292300
 Sum of electronic and thermal Energies=              -388.283994
 Sum of electronic and thermal Enthalpies=            -388.283050
 Sum of electronic and thermal Free Energies=         -388.325143
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.730             33.807             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.247
 Vibrational            123.953             27.846             18.798
 Vibration     1          0.605              1.944              3.334
 Vibration     2          0.618              1.904              2.684
 Vibration     3          0.643              1.823              2.031
 Vibration     4          0.656              1.782              1.816
 Vibration     5          0.671              1.738              1.633
 Vibration     6          0.764              1.475              0.972
 Vibration     7          0.786              1.419              0.880
 Vibration     8          0.817              1.341              0.769
 Vibration     9          0.875              1.206              0.610
 Vibration    10          0.889              1.174              0.578
 Vibration    11          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.583844D-73        -73.233703       -168.626833
 Total V=0       0.127920D+16         15.106939         34.785013
 Vib (Bot)       0.177887D-86        -86.749856       -199.748926
 Vib (Bot)    1  0.192730D+01          0.284950          0.656122
 Vib (Bot)    2  0.136029D+01          0.133631          0.307697
 Vib (Bot)    3  0.938816D+00         -0.027420         -0.063136
 Vib (Bot)    4  0.823777D+00         -0.084190         -0.193855
 Vib (Bot)    5  0.733437D+00         -0.134637         -0.310013
 Vib (Bot)    6  0.449216D+00         -0.347545         -0.800251
 Vib (Bot)    7  0.413505D+00         -0.383520         -0.883086
 Vib (Bot)    8  0.370916D+00         -0.430725         -0.991781
 Vib (Bot)    9  0.310454D+00         -0.508003         -1.169720
 Vib (Bot)   10  0.298092D+00         -0.525649         -1.210352
 Vib (Bot)   11  0.253337D+00         -0.596301         -1.373035
 Vib (V=0)       0.389750D+02          1.590786          3.662920
 Vib (V=0)    1  0.249110D+01          0.396392          0.912726
 Vib (V=0)    2  0.194927D+01          0.289872          0.667455
 Vib (V=0)    3  0.156366D+01          0.194143          0.447030
 Vib (V=0)    4  0.146364D+01          0.165435          0.380929
 Vib (V=0)    5  0.138765D+01          0.142281          0.327615
 Vib (V=0)    6  0.117216D+01          0.068986          0.158846
 Vib (V=0)    7  0.114883D+01          0.060257          0.138748
 Vib (V=0)    8  0.112256D+01          0.050209          0.115610
 Vib (V=0)    9  0.108854D+01          0.036845          0.084839
 Vib (V=0)   10  0.108212D+01          0.034274          0.078918
 Vib (V=0)   11  0.106052D+01          0.025518          0.058757
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.550016D+06          5.740375         13.217702
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333333332                                                   11111111111111111111 11111                                         
   111100000009                                                   66555444433333222111 111009999988 8777    65 55 4 43    222  11    
   976699873217                                                   52100998165320941988 300538763185 1653    29 32 5 29    631  40    
   187130822705                                                   18530924389556738452 062373026828 5813    13 40 9 37    481  96    
 
   XXXXXXXXXXXX                                                   XXXXXXXXXXXXXXXX XXX XXXXXXX XXXX XXXX    XX XX X XX    X X  X     
   XX XXX XXXXX                                                     XX  X  XX                        XX           X                  
   XX  XX XXXXX                                                     XX                               XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XX XX                                                     X                                XX                              
   XX  XX XX XX                                                                                      XX                              
   XX  XX XX XX                                                                                      X                               
    X  XX XX X                                                                                       X                               
    X  XX XX X                                                                                       X                               
       XX XX X                                                                                       X                               
       XX XX                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                                                         
       XX  X                                                                                                                         
       XX  X                                                                                                                         
        X  X                                                                                                                         
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002085   -0.000006530    0.000001263
      2        6           0.000006560   -0.000001017   -0.000006946
      3        6           0.000000078   -0.000004377    0.000003077
      4        6           0.000002773    0.000008929    0.000000518
      5        6          -0.000015820    0.000013508    0.000003209
      6        6          -0.000001967    0.000001316   -0.000001321
      7        6           0.000009431   -0.000006724    0.000002191
      8        6           0.000000702    0.000001906    0.000003993
      9        6          -0.000001293   -0.000007184   -0.000000782
     10        1          -0.000000442   -0.000000205    0.000000005
     11        1           0.000000225   -0.000000429    0.000000023
     12        1           0.000000010    0.000000447   -0.000000414
     13        1           0.000001297   -0.000000295   -0.000001106
     14        1           0.000000957   -0.000000083   -0.000000071
     15        6          -0.000003738   -0.000000406    0.000000295
     16        1          -0.000000323    0.000001379   -0.000000358
     17        1          -0.000000835    0.000000397   -0.000003222
     18        1           0.000001117   -0.000000020   -0.000000430
     19        1          -0.000001342   -0.000000500   -0.000001205
     20        1           0.000001368   -0.000001377    0.000000185
     21        1           0.000000210    0.000000992    0.000000039
     22        1           0.000003118    0.000000275    0.000001056
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000015820 RMS     0.000003841
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150095D+03  0.203717D+01 -0.375201D+01
      2   0.203717D+01  0.130704D+03  0.143328D+01
      3  -0.375201D+01  0.143328D+01  0.816134D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.532608D+00  0.120615D+01  0.198913D+01
      2   0.108306D+02 -0.621173D+01  0.131311D+02
      3   0.100738D+01  0.341794D+02  0.559151D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.787551D+02 -0.172570D+02  0.146522D+02
      2   0.406544D+02  0.277668D+01 -0.142564D+02
      3   0.381007D+02  0.144803D+02 -0.395745D+00
      4  -0.293591D+02 -0.335629D+02 -0.114996D+02
      5   0.147162D+02 -0.148544D+02  0.335853D+02
      6  -0.829167D+01 -0.157977D+01  0.839146D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.918991D+00 -0.110507D+01 -0.838668D+00 -0.606693D+01 -0.117270D+00
      2  -0.110507D+01 -0.267575D+01 -0.734057D+00 -0.117270D+00 -0.231148D+01
      3  -0.838668D+00 -0.734057D+00 -0.154595D+01  0.726947D+00  0.538247D+00
                 6             7             8             9            10 
      1   0.726947D+00 -0.148001D+01 -0.968361D-01 -0.365682D+01 -0.534091D+01
      2   0.538247D+00 -0.968361D-01  0.501832D+00 -0.395082D+01  0.880290D+00
      3  -0.274066D+01 -0.365682D+01 -0.395082D+01  0.681326D-01 -0.573913D+00
                11            12            13            14            15 
      1   0.880290D+00 -0.573913D+00  0.210221D+01  0.270928D+01  0.165845D+00
      2  -0.288501D+01 -0.434922D-01  0.270928D+01  0.237040D+01 -0.460821D+00
      3  -0.434922D-01 -0.279626D+01  0.165845D+00 -0.460821D+00  0.872797D+00
                16            17            18            19            20 
      1  -0.582276D+00  0.647918D+00 -0.557359D+01  0.114829D+01 -0.343752D+01
      2   0.647918D+00  0.291847D+00  0.721820D+00 -0.343752D+01 -0.380588D+01
      3  -0.557359D+01  0.721820D+00  0.144512D+01 -0.220396D+00  0.593788D+00
                21            22            23            24            25 
      1  -0.220396D+00  0.558090D+01 -0.524908D+00 -0.100563D+00  0.429827D+00
      2   0.593788D+00 -0.524908D+00  0.549128D+00 -0.469094D+00  0.978613D+00
      3  -0.485127D+00 -0.100563D+00 -0.469094D+00  0.244507D+01 -0.252707D+01
                26            27            28            29            30 
      1   0.978613D+00 -0.252707D+01  0.867549D+00  0.314874D+01 -0.402559D+00
      2  -0.505761D+00  0.364786D+01  0.314874D+01  0.733378D+01 -0.190746D+00
      3   0.364786D+01  0.150706D+01 -0.402559D+00 -0.190746D+00  0.169197D+01
                31            32            33            34            35 
      1   0.130765D+02  0.455656D+01 -0.114015D+01  0.171330D+01 -0.367064D+00
      2   0.455656D+01  0.719347D+01 -0.626522D+00 -0.367064D+00 -0.292452D+00
      3  -0.114015D+01 -0.626522D+00  0.152612D+01  0.157442D+01  0.299965D+01
                36            37            38            39            40 
      1   0.157442D+01  0.171995D+02 -0.189815D+01 -0.226849D+01 -0.643511D+01
      2   0.299965D+01 -0.189815D+01  0.409830D+01  0.527704D-01 -0.326834D+01
      3  -0.312415D-02 -0.226849D+01  0.527704D-01  0.231125D+01  0.151408D-01
                41            42            43            44            45 
      1  -0.326834D+01  0.151408D-01 -0.172789D+01 -0.513357D+00  0.322223D+01
      2  -0.741422D+00  0.545171D+00 -0.513357D+00  0.352511D+00 -0.833999D+00
      3   0.545171D+00  0.278600D+00  0.322223D+01 -0.833999D+00 -0.128655D+01
                46            47            48            49            50 
      1  -0.243075D+01  0.362712D+01  0.363120D+00 -0.643564D+01  0.678319D+00
      2   0.362712D+01  0.239353D+01 -0.363780D+00  0.678319D+00 -0.201801D+01
      3   0.363120D+00 -0.363780D+00  0.927031D+00  0.233869D+00  0.445558D+00
                51            52            53            54            55 
      1   0.233869D+00  0.218528D+00 -0.428881D+00  0.359577D+00 -0.554653D+01
      2   0.445558D+00 -0.428881D+00  0.652116D-01 -0.417751D+01  0.284765D+01
      3  -0.233323D+01  0.359577D+00 -0.417751D+01 -0.133675D+01  0.146130D+01
                56            57            58            59            60 
      1   0.284765D+01  0.146130D+01  0.346339D+01 -0.368684D+01  0.289468D+00
      2  -0.248632D+01  0.265736D+00 -0.368684D+01 -0.207031D+01 -0.164875D+01
      3   0.265736D+00 -0.241816D+01  0.289468D+00 -0.164875D+01  0.752210D+00
                61            62            63            64            65 
      1   0.396119D+01  0.178739D+00 -0.364855D+01 -0.479251D+01 -0.403589D+01
      2   0.178739D+00 -0.234382D+01  0.399258D+00 -0.403589D+01  0.132044D+01
      3  -0.364855D+01  0.399258D+00  0.916179D+01  0.225372D+01  0.729659D+00
                66            67            68            69            70 
      1   0.225372D+01 -0.392071D+01  0.673383D+00  0.955705D+00  0.396079D+01
      2   0.729659D+00  0.673383D+00  0.269997D+01  0.139762D+01  0.184388D+01
      3  -0.148642D+01  0.955705D+00  0.139762D+01  0.471997D+00 -0.270102D+01
                71            72            73            74            75 
      1   0.184388D+01 -0.270102D+01 -0.253336D+01  0.538715D+00 -0.626911D-01
      2   0.164625D+01  0.876551D-01  0.538715D+00 -0.269450D+01  0.107105D+01
      3   0.876551D-01 -0.646467D+01 -0.626911D-01  0.107105D+01 -0.204586D+00
                76            77            78            79            80 
      1  -0.253574D+00 -0.444256D+01  0.112827D+01  0.936687D+00  0.216178D+01
      2  -0.444256D+01 -0.902812D+01 -0.363880D+00  0.216178D+01  0.397237D+00
      3   0.112827D+01 -0.363880D+00 -0.377756D+01 -0.160670D+01 -0.643242D+01
                81            82            83            84            85 
      1  -0.160670D+01 -0.580445D+01 -0.440150D+01  0.208547D+00 -0.418180D+01
      2  -0.643242D+01 -0.440150D+01 -0.377124D+01  0.184855D+00 -0.493138D+01
      3   0.365127D+01  0.208547D+00  0.184855D+00 -0.492599D+00 -0.474183D-01
                86            87            88            89            90 
      1  -0.493138D+01 -0.474183D-01  0.352312D+00  0.170438D+00  0.500278D-01
      2  -0.680064D+01  0.340409D-04  0.170438D+00 -0.283778D-01  0.328091D-01
      3   0.340409D-04 -0.573366D+00  0.500278D-01  0.328091D-01 -0.230028D-02
                91            92            93            94            95 
      1  -0.136938D+02  0.139794D+01  0.145993D+01  0.153566D+01 -0.183193D+01
      2   0.139794D+01 -0.789794D+00 -0.163382D+00 -0.183193D+01  0.538439D+00
      3   0.145993D+01 -0.163382D+00 -0.912958D+00 -0.298131D+00  0.207852D+00
                96            97            98            99           100 
      1  -0.298131D+00  0.170518D+01 -0.321052D+00 -0.105951D+00 -0.227621D+01
      2   0.207852D+00 -0.321052D+00  0.182608D+00  0.524100D-01  0.254036D+01
      3   0.156978D+00 -0.105951D+00  0.524100D-01  0.119368D+00  0.366553D+00
               101           102           103           104           105 
      1   0.254036D+01  0.366553D+00  0.241633D+01 -0.388133D+01 -0.414632D+00
      2  -0.278025D+01 -0.413047D+00 -0.388133D+01  0.935467D+01  0.993826D+00
      3  -0.413047D+00 -0.398509D+00 -0.414632D+00  0.993826D+00  0.842509D+00
               106           107           108           109           110 
      1   0.324619D+00 -0.563048D+00 -0.127093D+00  0.129621D+01 -0.168932D+01
      2  -0.563048D+00  0.116109D+01  0.227973D+00 -0.168932D+01  0.200548D+01
      3  -0.127093D+00  0.227973D+00  0.930034D-01 -0.141625D+00  0.316037D+00
               111           112           113           114           115 
      1  -0.141625D+00 -0.125328D+01  0.174868D+01  0.137068D+00 -0.211554D+00
      2   0.316037D+00  0.174868D+01 -0.956642D+01 -0.973244D+00  0.264504D+00
      3   0.165985D+00  0.137068D+00 -0.973244D+00 -0.780305D+00 -0.479609D-01
               116           117           118           119           120 
      1   0.264504D+00 -0.479609D-01  0.331623D+01 -0.690547D+00 -0.218227D+01
      2  -0.933633D+00 -0.119983D+00 -0.690547D+00  0.747345D+00  0.123340D+00
      3  -0.119983D+00 -0.168733D+00 -0.218227D+01  0.123340D+00  0.197577D+01
               121           122           123           124           125 
      1  -0.116420D+01  0.171651D+01  0.877823D-01 -0.635597D+01  0.629375D+00
      2   0.171651D+01 -0.431361D+00 -0.971988D+00  0.629375D+00 -0.123176D+01
      3   0.877823D-01 -0.971988D+00 -0.369180D+00  0.428123D+01 -0.723583D+00
               126           127           128           129           130 
      1   0.428123D+01 -0.817541D+01 -0.729986D+00  0.143741D+01 -0.441492D+01
      2  -0.723583D+00 -0.729986D+00  0.313313D+01 -0.423468D+00  0.328039D+01
      3  -0.973343D+01  0.143741D+01 -0.423468D+00  0.175682D+01 -0.534082D+00
               131           132           133           134           135 
      1   0.328039D+01 -0.534082D+00  0.229833D+01 -0.126654D+01  0.979775D+00
      2   0.295593D+01  0.279941D+01 -0.126654D+01  0.333867D+01  0.833473D+00
      3   0.279941D+01  0.123924D-01  0.979775D+00  0.833473D+00 -0.654501D+01
               136           137           138           139           140 
      1   0.962786D+01  0.348039D+01 -0.183467D+01  0.299413D+01  0.226716D+01
      2   0.348039D+01  0.200966D+01 -0.659793D+00  0.226716D+01  0.167237D+01
      3  -0.183467D+01 -0.659793D+00  0.134259D+01 -0.638375D+00 -0.779952D+00
               141           142           143           144           145 
      1  -0.638375D+00 -0.425797D+01 -0.149692D+01  0.224742D+01  0.161310D+01
      2  -0.779952D+00 -0.149692D+01 -0.136102D+01  0.897710D+00  0.571992D+00
      3   0.489968D+00  0.224742D+01  0.897710D+00 -0.758299D+00  0.136584D+01
               146           147           148           149           150 
      1   0.571992D+00  0.136584D+01  0.132763D+00  0.483571D+00 -0.179841D+00
      2  -0.183831D-01  0.181933D+00  0.483571D+00 -0.115382D+00  0.680796D+00
      3   0.181933D+00  0.916177D+00 -0.179841D+00  0.680796D+00 -0.437053D+00
               151           152           153           154           155 
      1   0.223392D+01  0.560507D-01  0.304662D+01  0.127907D+01  0.939853D+00
      2   0.560507D-01  0.145439D+01  0.668040D+00  0.939853D+00  0.371960D+00
      3   0.304662D+01  0.668040D+00  0.746421D+01 -0.103027D+01 -0.420127D+00
               156           157           158           159           160 
      1  -0.103027D+01  0.107245D+01  0.201959D+01 -0.711521D+00 -0.315453D+01
      2  -0.420127D+00  0.201959D+01  0.588512D+01 -0.278547D+01 -0.241988D+01
      3   0.403768D+00 -0.711521D+00 -0.278547D+01  0.238384D+01  0.164931D+01
               161           162           163           164           165 
      1  -0.241988D+01  0.164931D+01 -0.379919D+00  0.660105D+00  0.727658D+00
      2  -0.573084D+01  0.522962D+01  0.660105D+00 -0.861270D+00 -0.204097D+00
      3   0.522962D+01 -0.648046D+01  0.727658D+00 -0.204097D+00 -0.186085D+00
               166           167           168           169           170 
      1   0.147695D+01  0.144114D+01  0.225409D+00  0.958004D+00  0.302233D+00
      2   0.144114D+01  0.923114D+01  0.278356D+01  0.302233D+00  0.487251D+01
      3   0.225409D+00  0.278356D+01  0.207064D+01  0.608068D+00  0.364928D+01
               171           172           173           174           175 
      1   0.608068D+00  0.158260D+00  0.763867D-01  0.642346D+00  0.713275D+00
      2   0.364928D+01  0.763867D-01 -0.729224D+00  0.252093D+00 -0.254120D+00
      3   0.202587D+01  0.642346D+00  0.252093D+00 -0.119516D+01  0.111764D+00
               176           177           178           179           180 
      1  -0.254120D+00  0.111764D+00  0.160899D+01 -0.611006D+00  0.735584D+00
      2  -0.557187D+00  0.637274D+00 -0.611006D+00  0.156387D+01 -0.144039D+01
      3   0.637274D+00 -0.434403D-02  0.735584D+00 -0.144039D+01  0.771278D+01
               181           182           183           184           185 
      1   0.132830D+02 -0.212590D+01 -0.260480D+00  0.886229D+00  0.869866D+00
      2  -0.212590D+01  0.144980D+01 -0.745148D-01  0.869866D+00 -0.448564D+00
      3  -0.260480D+00 -0.745148D-01  0.106479D+01  0.768948D-01 -0.350718D+00
               186           187           188           189           190 
      1   0.768948D-01 -0.176949D+01  0.377941D+00  0.127784D+01  0.265692D+00
      2  -0.350718D+00  0.377941D+00 -0.768405D+00 -0.279956D+00 -0.595667D+00
      3   0.123558D+00  0.127784D+01 -0.279956D+00  0.107324D+00 -0.470401D+00
               191           192           193           194           195 
      1  -0.595667D+00 -0.470401D+00 -0.132461D+01  0.494239D+00 -0.894505D-01
      2  -0.136580D+01 -0.807591D-01  0.494239D+00 -0.836174D+01 -0.159891D+01
      3  -0.807591D-01 -0.434341D+00 -0.894505D-01 -0.159891D+01 -0.141099D+01
               196           197           198 
      1  -0.116198D+01  0.473118D+00 -0.373427D-01
      2   0.473118D+00 -0.263198D+01 -0.148889D+01
      3  -0.373427D-01 -0.148889D+01 -0.576594D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.129806D+01 -0.177674D+00 -0.432900D+01  0.117345D+01  0.154319D+00
      2   0.696150D+00  0.111715D+01  0.320694D+01 -0.314194D+00 -0.562689D+00
      3  -0.694403D+01 -0.124175D+02 -0.271615D+00  0.848865D+01 -0.297554D+01
                 6             7             8             9            10 
      1  -0.165923D+01 -0.837875D+01  0.360137D+01  0.152249D+01  0.514846D+00
      2   0.704437D+01 -0.240274D+01  0.120070D+02  0.120695D+01  0.139527D+00
      3   0.157213D+00  0.114657D+01  0.208149D+01 -0.568361D+01  0.436413D+01
                11            12            13            14            15 
      1   0.450035D+00  0.725095D+00  0.121762D+01 -0.133576D+01  0.250895D+01
      2  -0.263631D+00  0.880384D+01 -0.222944D+01 -0.358270D+00 -0.142950D+01
      3  -0.937355D+01 -0.108069D+00  0.129645D+02  0.386462D+01 -0.179187D+01
                16            17            18            19            20 
      1   0.233328D+01  0.123367D+02  0.102820D+01  0.133739D+01 -0.878573D+00
      2   0.880829D+01 -0.331688D+01 -0.312687D+01  0.700791D+00 -0.629677D-01
      3   0.107437D+01 -0.231543D+00  0.242400D+01 -0.324722D+01 -0.158928D+02
                21            22            23            24            25 
      1  -0.408369D+00 -0.115303D+01  0.461783D+00 -0.284379D+01  0.409081D+01
      2  -0.917407D+00  0.100743D+01  0.172538D+01 -0.641313D+01 -0.954488D+01
      3  -0.783523D+00 -0.427511D+00  0.877961D+00 -0.288911D+00  0.106411D+01
                26            27            28            29            30 
      1   0.244864D+01 -0.242478D+00 -0.190532D+01  0.192474D+01 -0.102672D+01
      2  -0.106817D+02 -0.936079D+00 -0.334113D+01 -0.157150D+01 -0.865033D+00
      3   0.113367D+01  0.574819D+01 -0.357093D+01  0.567990D+01  0.165000D+01
                31            32            33            34            35 
      1   0.222790D+01  0.705565D+00 -0.137658D+01 -0.282898D+01  0.658015D+01
      2   0.166030D+01 -0.236824D+01 -0.970339D+00 -0.154927D+02 -0.123993D+01
      3   0.972442D+01  0.231859D+02 -0.139808D+01  0.321667D+01 -0.147198D+01
                36            37            38            39            40 
      1   0.432420D+00  0.904926D+00  0.169357D+01  0.129416D+01  0.246644D+01
      2   0.152775D+01 -0.208243D+01 -0.141448D+01  0.115672D+00 -0.891792D+00
      3   0.344987D+01 -0.910401D+01  0.122941D+02  0.175315D+01  0.110340D+02
                41            42            43            44            45 
      1  -0.164080D+00 -0.467403D+00  0.369901D+01  0.105084D+02 -0.283811D+00
      2   0.495360D+00  0.460282D+00 -0.132990D+02  0.531886D+00  0.125443D+01
      3  -0.757820D+01 -0.149911D+01 -0.754495D+00 -0.607983D+01 -0.248209D+01
                46            47            48            49            50 
      1   0.411450D+00 -0.552897D+00  0.402579D+01 -0.633438D+00 -0.107710D+01
      2  -0.280260D+01  0.204368D+01 -0.244836D+01 -0.747600D-01  0.829504D+00
      3   0.103385D+02 -0.380095D+01 -0.256056D+01  0.714426D+01 -0.703012D+01
                51            52            53            54            55 
      1  -0.336581D+01  0.475869D+01  0.768347D+00 -0.193230D+01 -0.153306D+01
      2   0.193295D+01 -0.147506D+02  0.202519D+01  0.233641D+01 -0.369486D+00
      3   0.491404D-01 -0.452399D+01  0.103507D+01 -0.557535D+01 -0.225495D+01
                56            57            58            59            60 
      1   0.216637D+01 -0.143395D+01  0.299085D+01 -0.117114D+01 -0.127507D+01
      2   0.121139D+01 -0.152759D+01  0.155317D+01 -0.598326D+01  0.111142D+01
      3  -0.291086D+01 -0.130143D+01  0.128570D+02  0.795853D+01  0.437468D+01
                61            62            63            64            65 
      1  -0.339656D+01  0.630463D+01  0.342757D+01 -0.349118D+01 -0.117173D+01
      2  -0.110692D+02  0.831464D+00  0.141747D+02  0.747902D+01  0.359054D+01
      3  -0.406965D+01  0.778988D+01  0.191396D+01  0.876333D+01 -0.134446D+02
                66            67            68            69            70 
      1   0.184915D+01 -0.164844D+01 -0.357641D+01 -0.240477D+01  0.438405D+01
      2  -0.216746D+01  0.434785D+01  0.341813D+01  0.538608D+00 -0.126017D+02
      3   0.164343D+01 -0.858926D+01 -0.531426D+01 -0.344882D+01  0.118965D+01
                71            72            73            74            75 
      1   0.190871D+01  0.592067D+01  0.582543D+00 -0.299757D+01 -0.145607D-01
      2  -0.159225D+01 -0.128772D+02 -0.134232D+01  0.121054D+01  0.159212D+01
      3  -0.471299D+01 -0.329430D+01 -0.826044D+01  0.714317D+00 -0.139639D+01
                76            77            78            79            80 
      1  -0.765400D+00  0.503219D+01  0.742319D+01  0.641741D+01  0.233754D+02
      2   0.301733D+00  0.512434D+00 -0.254964D+01 -0.577946D+01 -0.623103D+01
      3   0.134137D+02 -0.669237D+01  0.385556D+01 -0.691531D+00  0.835621D+01
                81            82            83            84            85 
      1  -0.681902D+01  0.351285D+00  0.379097D+00 -0.240106D+01 -0.136622D+00
      2   0.310091D+01 -0.738087D+00 -0.746931D+00  0.302907D+01 -0.328138D-01
      3   0.148299D+01 -0.137941D+01 -0.483110D+01  0.298044D+00 -0.378440D+01
                86            87            88            89            90 
      1  -0.424241D-01 -0.319544D+01  0.111552D+01  0.152502D+01  0.481411D-01
      2  -0.196735D+00  0.301001D+01 -0.121209D+01 -0.108564D+01 -0.112291D+00
      3  -0.109612D+02  0.102862D+00 -0.309921D+00 -0.710067D+00  0.207088D+00
                91            92            93            94            95 
      1   0.356449D-01 -0.438720D+00  0.645994D+00 -0.236261D+00  0.151831D+00
      2  -0.209888D+01  0.252177D+00  0.616254D+01  0.733755D+00 -0.454102D+00
      3   0.235940D+01 -0.536155D+01 -0.308637D+00 -0.441734D+01  0.185831D+01
                96            97            98            99           100 
      1  -0.445822D+00 -0.501710D+00  0.352561D+00 -0.863322D-01 -0.980734D-01
      2  -0.907296D+00 -0.249695D+01  0.451408D+00 -0.576025D+00 -0.418428D+00
      3   0.598084D+00 -0.486744D+00  0.663691D+00 -0.105068D+00  0.968781D+00
               101           102           103           104           105 
      1   0.191115D+00  0.162430D+01  0.594192D-01  0.424815D+00 -0.428954D+01
      2   0.645819D+00  0.140991D+01  0.433085D+00 -0.182860D+01 -0.264856D+01
      3  -0.286243D+01 -0.382136D+00 -0.119499D+01  0.153022D+02  0.157433D+01
               106           107           108           109           110 
      1  -0.342853D+00  0.164498D+01 -0.411056D+00  0.242680D+00  0.915063D-02
      2  -0.855105D+00  0.537294D+00 -0.264610D+00  0.641935D+00 -0.693919D+00
      3  -0.267575D+00  0.130834D+01 -0.143695D+00 -0.672390D+01  0.567834D+01
               111           112           113           114           115 
      1   0.117799D+01 -0.305313D+00  0.727516D+00 -0.422736D+01 -0.596620D+00
      2   0.211314D+00 -0.934685D+00  0.976167D+00 -0.341072D+00 -0.108521D+01
      3   0.509914D+00  0.839841D+01 -0.125264D+02 -0.120754D+01  0.107585D+01
               116           117           118           119           120 
      1   0.191559D+01 -0.269996D+00 -0.743666D+00 -0.156840D+01  0.902774D+00
      2   0.287718D+00 -0.176448D+00 -0.129533D+01 -0.239423D-01  0.383343D+01
      3  -0.184874D+01  0.739952D-01 -0.117093D+01 -0.360544D+01  0.126416D+01
               121           122           123           124           125 
      1  -0.140477D+01 -0.630090D+00 -0.106666D+01  0.100976D+01  0.276212D+01
      2   0.344708D+00  0.422913D-01 -0.104543D+01  0.240097D+01 -0.543301D+00
      3  -0.266253D+01 -0.950130D+00  0.209662D+01  0.214066D+01  0.233830D+01
               126           127           128           129           130 
      1  -0.374793D+01  0.279110D+01 -0.197175D-01  0.322231D+01 -0.242120D+01
      2  -0.155219D+02  0.845778D+01 -0.233762D+01  0.593272D+01 -0.301809D+01
      3  -0.384682D+00  0.213712D+02 -0.128126D+02 -0.153411D+01 -0.190013D+01
               131           132           133           134           135 
      1   0.948121D+01 -0.149094D+00 -0.148866D+00  0.476400D+01 -0.105632D+02
      2   0.716699D+01  0.198352D+00 -0.616290D+00  0.312633D+01 -0.166279D+02
      3  -0.186197D+02 -0.797223D+01 -0.111225D+01 -0.786407D+01 -0.467252D+01
               136           137           138           139           140 
      1   0.237161D+01  0.601992D+00 -0.255847D+01  0.735518D+00  0.742339D+00
      2  -0.485408D+01 -0.187534D+01  0.600909D+01 -0.180085D+01 -0.189325D+01
      3   0.489271D+01 -0.403653D+01 -0.960863D+00  0.618396D+00 -0.212718D+01
               141           142           143           144           145 
      1  -0.153099D+01 -0.280541D+01  0.121180D+00  0.121211D+01 -0.111556D+01
      2   0.196402D+01  0.418736D+01  0.196763D+01 -0.269553D+01  0.177604D+01
      3   0.122567D+01 -0.233617D+01  0.307158D+01  0.834418D+00 -0.302507D+00
               146           147           148           149           150 
      1   0.194510D+00 -0.139265D+01  0.227904D+00 -0.130354D+01 -0.354337D+00
      2  -0.267182D+00  0.317635D+01 -0.827496D+00  0.111028D+01 -0.829821D+00
      3  -0.147627D+00  0.135995D+01  0.194379D+01  0.223702D+01 -0.151879D+01
               151           152           153           154           155 
      1  -0.373418D+01  0.274594D+01 -0.872593D+01  0.205619D+01  0.362193D+00
      2   0.312333D+01  0.158694D+01  0.165355D+02  0.503559D+00 -0.306118D+00
      3   0.373449D+01 -0.549239D+01  0.204998D+01  0.450138D+01  0.366966D+00
               156           157           158           159           160 
      1  -0.896061D+00  0.159540D+01  0.393680D+01 -0.686328D+01 -0.384348D+01
      2   0.128217D+01 -0.157729D-01 -0.206344D+01  0.209740D+01 -0.277921D+00
      3  -0.223837D+01  0.177321D+01 -0.342650D+00  0.630899D+00 -0.672753D+01
               161           162           163           164           165 
      1  -0.935892D+01  0.146567D+02 -0.106439D+01  0.707346D+00  0.525519D+00
      2   0.426004D+01 -0.532091D+01  0.208312D+00 -0.386755D+00  0.671861D+00
      3  -0.596325D+00 -0.759112D+00 -0.109434D+01 -0.362239D+00  0.166624D+01
               166           167           168           169           170 
      1  -0.180962D+01 -0.807426D+01 -0.766186D+01 -0.183491D+01 -0.827260D+01
      2  -0.257064D+00  0.238604D+01  0.167449D+01 -0.574111D+00  0.254076D+01
      3   0.490545D+01 -0.470478D+01 -0.226640D+01  0.436473D+01 -0.415782D+01
               171           172           173           174           175 
      1  -0.660932D+01  0.845159D+00 -0.531553D+00 -0.187295D+01 -0.110931D+00
      2   0.136022D+01  0.223665D+01  0.532736D+00 -0.243086D+01  0.269383D+00
      3  -0.216724D+01 -0.256025D+00  0.156467D+01 -0.164366D+01  0.122952D+01
               176           177           178           179           180 
      1   0.112746D+01 -0.114805D+01  0.485424D+00  0.134891D+01  0.137482D+02
      2   0.143142D+01 -0.285453D+00 -0.236468D+01 -0.318571D+01  0.195938D+02
      3   0.166399D+01 -0.151247D+01 -0.152852D+01 -0.366651D+01  0.369999D+01
               181           182           183           184           185 
      1  -0.184180D+00  0.159378D+00  0.206709D+01  0.267159D+00 -0.689854D+00
      2  -0.409880D+01 -0.784833D-02  0.625723D+01  0.194840D+00 -0.100681D+01
      3  -0.183215D+02 -0.461235D+01  0.955370D+00 -0.188894D+01  0.296260D-01
               186           187           188           189           190 
      1  -0.462094D+00  0.148251D+01  0.308212D+00  0.252569D+00 -0.101135D+01
      2   0.500268D+00  0.215205D+01 -0.395983D+00  0.186403D+00 -0.127287D+01
      3   0.111093D+01  0.163954D+01  0.190851D+01 -0.101045D+01  0.404800D+01
               191           192           193           194           195 
      1  -0.502652D+00 -0.172638D+01 -0.461974D+00 -0.559753D+01 -0.595216D+01
      2   0.705724D-01 -0.530360D+00 -0.449292D+00 -0.337859D+01 -0.311194D+01
      3   0.482292D+01  0.166645D+01  0.541287D+01  0.238650D+02  0.524689D+01
               196           197           198 
      1  -0.341398D+00 -0.233861D+01 -0.183498D+01
      2  -0.129233D+01 -0.290190D+01 -0.116004D+01
      3   0.216176D+01  0.714555D+01  0.439364D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183482D+01 -0.238080D+02 -0.156779D+01  0.293755D+02  0.557566D+01
      2  -0.612953D+01  0.171146D+02 -0.306659D+00 -0.289591D+02 -0.112016D+02
      3   0.429471D+01  0.669337D+01  0.187445D+01 -0.416361D+00  0.562592D+01
      4  -0.203766D+02  0.562488D+01  0.510615D+01  0.575058D+01 -0.146881D+02
      5   0.124321D+01  0.571468D+01  0.800496D+01 -0.488713D-01 -0.287771D+01
      6   0.477177D+01  0.239719D+01  0.973984D+01 -0.302802D+01  0.643882D+00
                 6             7             8             9            10 
      1   0.441374D+00  0.678547D+01  0.634141D+01  0.239005D+01 -0.100029D+02
      2   0.871664D+00 -0.498836D+01 -0.558405D+01 -0.842533D+01  0.550262D+01
      3  -0.131304D+01 -0.179711D+01 -0.757355D+00  0.603528D+01  0.450025D+01
      4  -0.391462D+01  0.472074D+01 -0.266706D+01  0.169660D+02  0.546364D+01
      5   0.149410D+02  0.241700D+02  0.192683D+02  0.208163D+01  0.102369D+02
      6   0.514729D+01  0.111651D+02  0.159535D+02 -0.232497D+01 -0.701441D+00
                11            12            13            14            15 
      1   0.345739D+01  0.715681D+01 -0.129109D+02 -0.247293D+02 -0.236478D+01
      2  -0.143777D+01 -0.386411D+01  0.106706D+02  0.240759D+02  0.360223D+01
      3  -0.201962D+01 -0.329270D+01  0.224032D+01  0.653398D+00 -0.123745D+01
      4   0.251969D+02 -0.891155D+00 -0.268604D+02  0.826992D+01  0.325949D+01
      5  -0.154803D+01  0.190277D+02 -0.610851D+01  0.260171D+01 -0.310236D+01
      6  -0.125178D+01 -0.193031D+01  0.269942D+01 -0.116105D+01 -0.586459D+01
                16            17            18            19            20 
      1   0.105159D+02 -0.385310D+01  0.154920D+02  0.131471D+02  0.206010D+02
      2  -0.366726D+01  0.267623D+01 -0.207633D+02 -0.128522D+02 -0.140625D+02
      3  -0.684869D+01  0.117687D+01  0.527129D+01 -0.294868D+00 -0.653848D+01
      4  -0.642868D+01 -0.911547D+00 -0.196622D+01  0.981058D+01 -0.131351D+02
      5   0.377948D+02 -0.406073D+01 -0.654097D+01  0.164461D+01 -0.422317D+01
      6  -0.376467D+00  0.425875D+01 -0.153464D+01 -0.228735D+01  0.569132D+01
                21            22            23            24            25 
      1  -0.934503D+00 -0.237216D+02  0.129454D+02  0.127680D+01  0.556920D+00
      2   0.506517D+00  0.221267D+02 -0.214964D+02 -0.420854D+01  0.185103D+01
      3   0.427986D+00  0.159489D+01  0.855101D+01  0.293174D+01 -0.240795D+01
      4  -0.363462D+01  0.904549D+01  0.451010D+01  0.240900D+01 -0.413905D+01
      5  -0.287687D+01 -0.708281D+00  0.281361D+01 -0.127136D+02  0.116073D+02
      6  -0.767465D+00  0.168522D+01 -0.520731D+01  0.718833D+01 -0.779075D+01
                26            27            28            29            30 
      1  -0.198741D+01 -0.411434D+01 -0.867395D+01 -0.264390D+02 -0.503634D+00
      2  -0.299188D+01 -0.557917D+01  0.771568D+01  0.199666D+02 -0.153228D+01
      3   0.497929D+01  0.969352D+01  0.958265D+00  0.647240D+01  0.203592D+01
      4   0.619073D+01 -0.166983D+02 -0.765250D+01 -0.933081D+01 -0.816700D+00
      5  -0.161851D+02 -0.214931D+01 -0.175483D+01 -0.244095D+00 -0.799144D+00
      6   0.141571D+02  0.248776D+01 -0.935238D+00 -0.410208D+01  0.276608D+01
                31            32            33            34            35 
      1  -0.119074D+02 -0.118219D+02 -0.621405D+00  0.181474D+01  0.173896D+00
      2   0.621246D+00  0.115394D+02  0.522668D+00 -0.269518D+01 -0.544174D+00
      3   0.112862D+02  0.282497D+00  0.987369D-01  0.880443D+00  0.370278D+00
      4   0.569645D+01 -0.762987D+01 -0.232770D+01 -0.181384D+01  0.233593D+01
      5  -0.377473D+01 -0.239079D+01  0.300548D+00  0.205869D+01 -0.325375D+01
      6  -0.808030D+01 -0.210171D+01  0.339262D+01  0.229225D+01  0.996284D+01
                36            37            38            39            40 
      1  -0.122181D+02 -0.236809D+02  0.468969D+01 -0.789324D+00 -0.237392D+01
      2   0.204659D+01  0.775929D+01 -0.586406D+00  0.696419D+00  0.515783D+01
      3   0.101715D+02  0.159217D+02 -0.410328D+01  0.929051D-01 -0.278390D+01
      4  -0.184134D+01 -0.699380D+01  0.902268D+01  0.747538D+00 -0.819508D+01
      5   0.206895D+01 -0.944417D+01 -0.327649D+00  0.264705D+01  0.912308D+00
      6  -0.112257D+01  0.386694D+00 -0.226569D+01 -0.169069D+01  0.532407D+01
                41            42            43            44            45 
      1  -0.467359D+00  0.717328D+00  0.467871D+01 -0.195854D+01 -0.892838D+01
      2   0.881429D+01  0.124354D+01 -0.116410D+01  0.230737D+01 -0.271889D+01
      3  -0.834693D+01 -0.196087D+01 -0.351461D+01 -0.348832D+00  0.116473D+02
      4   0.604515D+01  0.313292D+01 -0.175896D+01  0.376547D+01 -0.121015D+01
      5   0.211152D+01 -0.337394D+00  0.332101D+01  0.155049D+01  0.532808D+00
      6   0.124767D+01 -0.807057D+00 -0.903732D+00  0.478763D+01  0.678994D+00
                46            47            48            49            50 
      1   0.568449D+01  0.893516D+01 -0.909451D+00  0.220145D+01  0.770213D+01
      2  -0.371465D+01 -0.956613D+01  0.139724D+01  0.673894D+01 -0.153478D+02
      3  -0.196984D+01  0.630975D+00 -0.487789D+00 -0.894039D+01  0.764565D+01
      4   0.989538D+01 -0.203917D+02 -0.186256D+01  0.165729D+02  0.127127D+02
      5   0.710538D+00 -0.191946D+01 -0.591623D+01  0.194235D+01  0.975863D+00
      6  -0.358957D+01  0.257689D+01 -0.771021D+01  0.790147D+00 -0.496930D+01
                51            52            53            54            55 
      1   0.223787D+01 -0.935857D+00  0.173680D+00 -0.167248D+02  0.180021D+02
      2  -0.379929D+01  0.251030D+01 -0.365137D+01  0.412322D+01 -0.421410D+01
      3   0.156142D+01 -0.157444D+01  0.347769D+01  0.126016D+02 -0.137880D+02
      4   0.493219D+00  0.310500D+01  0.472710D+01  0.680512D+01  0.130833D+02
      5   0.194699D+01  0.146529D+01  0.688745D+01  0.515696D+01  0.618699D+01
      6   0.805208D+01 -0.279887D+01  0.176315D+02  0.529092D+01 -0.123864D+00
                56            57            58            59            60 
      1   0.110969D+01 -0.993075D+00  0.547902D+01 -0.853180D+01  0.160312D+01
      2   0.213710D+01 -0.432776D+01 -0.387723D+00  0.176629D+00  0.946257D+00
      3  -0.324679D+01  0.532083D+01 -0.509130D+01  0.835517D+01 -0.254938D+01
      4  -0.129799D+02  0.382719D+00 -0.245977D+02 -0.567331D+01 -0.824881D+01
      5   0.146122D+01 -0.116582D+02  0.230704D+01 -0.831683D+01  0.382792D+01
      6  -0.386585D+01  0.377714D+01 -0.651841D+01  0.326945D+01 -0.272349D+01
                61            62            63            64            65 
      1  -0.128641D+02  0.257289D+01  0.410606D+01 -0.182556D+02 -0.193581D+02
      2  -0.122840D+02  0.361720D+01  0.122008D+02  0.299963D+01  0.105011D+02
      3   0.251481D+02 -0.619010D+01 -0.163069D+02  0.152560D+02  0.885706D+01
      4   0.910534D+00 -0.132570D+02  0.572345D+01 -0.239044D+02 -0.659776D+01
      5  -0.181916D+02  0.358305D+01  0.383046D+02  0.155057D+02  0.559919D+01
      6   0.640895D+01 -0.215390D+00 -0.872281D+01  0.662213D+01  0.329129D+01
                66            67            68            69            70 
      1   0.934193D+01 -0.206356D+02  0.724201D+00  0.184465D+01  0.156679D+02
      2  -0.172374D+01  0.108430D+02  0.209360D+01  0.768275D+00  0.131150D+00
      3  -0.761819D+01  0.979262D+01 -0.281780D+01 -0.261293D+01 -0.157991D+02
      4   0.669713D+01 -0.384215D+01  0.126047D+02  0.711648D+01  0.141976D+02
      5  -0.812093D+01  0.695253D+01  0.594245D+01  0.142062D+01 -0.151574D+02
      6  -0.338551D+01  0.461500D+01  0.620627D+01  0.157237D+01 -0.747498D+01
                71            72            73            74            75 
      1   0.771954D+01 -0.981510D+01 -0.527515D+01  0.121440D+02 -0.458270D+01
      2  -0.261296D+01  0.166906D+02  0.841659D+01 -0.726245D+01  0.491698D+01
      3  -0.510658D+01 -0.687546D+01 -0.314145D+01 -0.488152D+01 -0.334287D+00
      4   0.954899D+01 -0.753258D+01  0.441931D+01  0.408597D+01  0.314771D+00
      5  -0.301597D+01 -0.285282D+02 -0.142554D+01  0.116870D+01 -0.165219D+01
      6   0.361963D+01 -0.104412D+02  0.162733D+01  0.702810D+01 -0.908475D+00
                76            77            78            79            80 
      1   0.257414D+02  0.327374D+02 -0.298338D+00 -0.110217D+02 -0.308689D+01
      2  -0.197925D+02 -0.348824D+02 -0.783713D+01  0.739419D+01 -0.778472D+01
      3  -0.594893D+01  0.214494D+01  0.813547D+01  0.362753D+01  0.108716D+02
      4   0.157473D+01 -0.700391D+01  0.361138D+00  0.933233D+00  0.341062D+01
      5   0.285482D+01  0.127602D+01 -0.691876D+01 -0.231839D+01 -0.107197D+02
      6   0.573776D+01 -0.516259D+01 -0.221988D+02 -0.122790D+02 -0.423787D+02
                81            82            83            84            85 
      1   0.291799D+02  0.257747D+02  0.163563D+02 -0.343214D+00  0.100985D+02
      2  -0.278137D+02 -0.451008D+01  0.742875D+00  0.102586D+00  0.822448D+01
      3  -0.136622D+01 -0.212646D+02 -0.170992D+02  0.240627D+00 -0.183230D+02
      4  -0.805550D+01  0.391227D+02  0.346424D+02 -0.117748D+01  0.386407D+02
      5   0.833726D+01 -0.516238D+00 -0.709684D+00  0.544991D+01  0.781404D+00
      6   0.173433D+02 -0.124553D+01 -0.125893D+01  0.298862D+01 -0.251741D+00
                86            87            88            89            90 
      1   0.483360D+01  0.179235D+00 -0.197104D+01 -0.142927D+01 -0.106861D+00
      2   0.178944D+02 -0.372328D+00  0.108950D+01  0.114630D+01  0.103603D+01
      3  -0.227280D+02  0.193093D+00  0.881537D+00  0.282963D+00 -0.929167D+00
      4   0.477007D+02 -0.164213D-01 -0.169670D+01 -0.634598D+00  0.199814D+01
      5   0.879119D+00  0.430036D+01  0.129133D+01  0.682239D+00 -0.436704D+00
      6  -0.598140D+00  0.507433D+01  0.106566D+01  0.169474D+01 -0.145369D+00
                91            92            93            94            95 
      1   0.102513D+03 -0.101313D+02 -0.925785D+01 -0.981040D+01  0.105857D+02
      2  -0.598795D+02  0.556456D+01  0.640356D+01  0.472800D+01 -0.529174D+01
      3  -0.426334D+02  0.456674D+01  0.285428D+01  0.508240D+01 -0.529400D+01
      4  -0.145421D+02  0.932033D+01  0.139256D+01  0.174204D+02 -0.491295D+01
      5  -0.134402D+02  0.140077D+01  0.104467D+02  0.248269D+01 -0.174433D+01
      6   0.227132D+00 -0.662271D+00 -0.625913D+00 -0.130048D+01  0.262913D+00
                96            97            98            99           100 
      1   0.147897D+01 -0.123154D+02  0.159700D+01  0.315456D+01  0.571434D+01
      2  -0.107466D+01  0.756027D+01 -0.822534D+00 -0.203597D+01  0.254792D+01
      3  -0.404316D+00  0.475509D+01 -0.774468D+00 -0.111859D+01 -0.826226D+01
      4  -0.182533D+01  0.298273D+01 -0.135198D+01 -0.967034D+00 -0.185225D+02
      5  -0.125835D+01  0.354090D+01 -0.194797D+00 -0.223950D+01 -0.211171D+01
      6   0.190395D+01 -0.333425D+00  0.819321D+00  0.434521D+00  0.187512D+01
               101           102           103           104           105 
      1  -0.466016D+01 -0.540554D+00  0.407787D+00 -0.145369D+02 -0.159487D+01
      2  -0.421204D+01 -0.382918D-01 -0.107424D+02  0.355227D+02  0.253768D+01
      3   0.887221D+01  0.578846D+00  0.103346D+02 -0.209857D+02 -0.942809D+00
      4   0.223857D+02  0.282400D+01  0.255795D+02 -0.479989D+02 -0.484563D+01
      5   0.244258D+01  0.352259D+01  0.240011D+01 -0.369708D+01 -0.434634D+01
      6  -0.225245D+01 -0.236586D+01 -0.267788D+01  0.656726D+01  0.701425D+01
               106           107           108           109           110 
      1  -0.715429D+00 -0.106152D+01 -0.169892D+01 -0.420800D+01  0.777903D+01
      2  -0.775820D+00  0.308904D+01  0.260904D+01  0.650425D+01 -0.971086D+01
      3   0.149125D+01 -0.202752D+01 -0.910128D+00 -0.229625D+01  0.193183D+01
      4   0.417691D+01 -0.597492D+01 -0.198476D+01 -0.351285D+01  0.792630D+01
      5   0.141155D+01 -0.134299D+01 -0.101489D+01  0.367384D+00 -0.237830D-02
      6  -0.159344D+01  0.345306D+01  0.147200D+01  0.125022D+01 -0.232497D+01
               111           112           113           114           115 
      1   0.152270D+01  0.639004D+01 -0.376995D+02 -0.412048D+01  0.104150D+01
      2  -0.111315D+01 -0.838453D+01  0.528551D+02  0.424366D+01 -0.140557D+01
      3  -0.409553D+00  0.199449D+01 -0.151556D+02 -0.123181D+00  0.364073D+00
      4   0.333758D+00  0.587729D+01  0.296268D+01  0.502587D+00  0.361526D+00
      5   0.971063D+00 -0.930861D-01  0.180189D+01  0.471040D+00  0.418469D+00
      6  -0.145980D+01 -0.126504D+01  0.784705D+01  0.717196D+01 -0.319409D+00
               116           117           118           119           120 
      1  -0.359304D+01 -0.169112D+01  0.567134D+01 -0.842802D+00 -0.426395D+01
      2   0.441582D+01  0.222963D+01 -0.884539D+01  0.280922D+00  0.625499D+01
      3  -0.822779D+00 -0.538508D+00  0.317405D+01  0.561880D+00 -0.199105D+01
      4  -0.552432D+00 -0.140305D+01 -0.453609D+01  0.734179D+01  0.176140D+01
      5  -0.549587D+00 -0.591975D+00 -0.118136D+02  0.117889D+01  0.158748D+02
      6   0.321724D+01  0.148105D+01  0.207337D+01  0.127595D+00 -0.183400D+01
               121           122           123           124           125 
      1  -0.428566D+00 -0.177342D+01 -0.320888D+00 -0.135907D+01 -0.944911D+00
      2  -0.677515D+00 -0.511917D+00  0.311499D+00  0.142696D+02 -0.121287D+01
      3   0.110608D+01  0.228534D+01  0.938893D-02 -0.129105D+02  0.215778D+01
      4   0.107035D+02 -0.321034D+01 -0.401081D+01  0.506827D+01 -0.611974D+01
      5   0.199966D+00 -0.395979D+01 -0.155767D+01  0.251466D+02 -0.390565D+01
      6  -0.166357D+01  0.971588D+00  0.811781D+01 -0.439569D+01  0.527930D+01
               126           127           128           129           130 
      1  -0.129446D+02 -0.626398D+02  0.987330D+01  0.427664D+01 -0.310245D+01
      2  -0.233900D+02  0.356486D+02 -0.137047D+02 -0.441464D+01 -0.450886D+01
      3   0.363346D+02  0.269911D+02  0.383142D+01  0.137996D+00  0.761130D+01
      4  -0.402006D+01  0.145424D+02  0.149169D+02 -0.379256D+01  0.225339D+02
      5  -0.406204D+02  0.536817D+01 -0.185423D+01  0.867690D+01 -0.423925D+01
      6   0.915253D+01 -0.704766D+01  0.287469D+01 -0.586293D+01  0.477012D+01
               131           132           133           134           135 
      1   0.245595D+02  0.536234D+01  0.100155D+02  0.266075D+01  0.160860D+02
      2  -0.275460D+02 -0.115969D+02 -0.115285D+01 -0.126292D+02  0.221636D+00
      3   0.298645D+01  0.623451D+01 -0.886263D+01  0.996841D+01 -0.163077D+02
      4   0.392986D+01  0.130521D+02 -0.102411D+02  0.153158D+02 -0.228759D+01
      5   0.154666D+02  0.231351D+00  0.686574D+01  0.217411D+01 -0.274587D+02
      6  -0.138151D+02 -0.588158D-01 -0.412944D+01 -0.170615D+01  0.182062D+02
               136           137           138           139           140 
      1   0.510237D+02  0.149148D+02 -0.954007D+01  0.113481D+02  0.594877D+01
      2  -0.228789D+02 -0.371273D+01  0.423938D+01 -0.126837D+01  0.277793D+01
      3  -0.281448D+02 -0.112021D+02  0.530069D+01 -0.100798D+02 -0.872670D+01
      4   0.361807D+02  0.207594D+02 -0.692537D+01  0.208579D+02  0.141226D+02
      5  -0.143404D+02 -0.467132D+01  0.109090D+02 -0.433676D+01 -0.513858D+01
      6  -0.594224D+01 -0.307498D+01  0.448029D+01 -0.327675D+01 -0.319382D+01
               141           142           143           144           145 
      1  -0.159605D+01 -0.159241D+02 -0.329879D+01  0.743253D+01  0.717910D+01
      2  -0.675082D+00  0.835778D+01  0.101108D+00 -0.614777D+01 -0.626901D+01
      3   0.227113D+01  0.756629D+01  0.319768D+01 -0.128476D+01 -0.910088D+00
      4  -0.564083D+01 -0.129791D+02 -0.978921D+01  0.830936D+01  0.549683D+01
      5   0.346751D+01  0.158780D+02  0.612534D+01 -0.707606D+01  0.826439D+01
      6   0.320656D+01  0.736689D+01  0.403675D+01 -0.352232D+01  0.247444D+01
               146           147           148           149           150 
      1   0.373477D+01  0.476497D+01  0.279094D+00 -0.119273D+01 -0.154533D+01
      2  -0.219159D+01 -0.484894D+01  0.147217D+01 -0.117323D+01  0.232884D+01
      3  -0.154318D+01  0.839731D-01 -0.175126D+01  0.236597D+01 -0.783509D+00
      4   0.268887D+01  0.234281D+01  0.389523D+01 -0.845881D+00  0.366233D+01
      5   0.732522D+00  0.954088D+01 -0.141697D+01  0.343344D+01 -0.238188D+01
      6   0.117191D+01  0.177700D+01  0.135971D+01  0.981789D+00  0.500783D+01
               151           152           153           154           155 
      1   0.834492D+01 -0.217981D+01 -0.142189D+01  0.646528D+00  0.298164D+00
      2  -0.118076D+02  0.155933D+01 -0.191190D+02 -0.129442D+01 -0.120467D+00
      3   0.346266D+01  0.620477D+00  0.205409D+02  0.647887D+00 -0.177697D+00
      4   0.500543D+01  0.780835D+01  0.711892D+01  0.354723D+01  0.733509D+01
      5   0.188174D+02  0.370325D+01  0.354401D+02 -0.234360D+01 -0.393470D+01
      6   0.662674D+01  0.468542D+01  0.156843D+02 -0.627453D+01 -0.231785D+01
               156           157           158           159           160 
      1  -0.324619D+00 -0.591584D+01 -0.248992D+02  0.119175D+02  0.527914D+01
      2  -0.389459D+00  0.702564D+01  0.284163D+02 -0.110188D+02 -0.375974D+01
      3   0.714078D+00 -0.110980D+01 -0.351707D+01 -0.898685D+00 -0.151940D+01
      4  -0.548395D+01  0.580372D+01  0.899252D+01 -0.448773D+01 -0.991585D+01
      5   0.637006D+01 -0.249197D+01 -0.514523D+01  0.454394D+01  0.757835D+01
      6   0.210260D+01 -0.488049D+01 -0.191519D+02  0.184838D+02  0.107184D+02
               161           162           163           164           165 
      1   0.243814D+02 -0.267876D+02 -0.278244D+00  0.421459D+01  0.232123D+01
      2  -0.192596D+02  0.131986D+02  0.237610D+01 -0.482647D+01 -0.191054D+01
      3  -0.512179D+01  0.135890D+02 -0.209785D+01  0.611879D+00 -0.410688D+00
      4  -0.100766D+02  0.779301D+01  0.108239D+01  0.775139D+01  0.367132D+01
      5   0.104272D+02 -0.118449D+02  0.107161D+01  0.185245D+01  0.240932D+01
      6   0.345610D+02 -0.357734D+02  0.457096D+01 -0.148491D+01 -0.905212D+00
               166           167           168           169           170 
      1  -0.358265D+01 -0.372605D+02 -0.111811D+02  0.277199D+00 -0.200854D+02
      2   0.535795D+01  0.538724D+02  0.164086D+02  0.154061D+01  0.263046D+02
      3  -0.177530D+01 -0.166119D+02 -0.522748D+01 -0.181781D+01 -0.621919D+01
      4   0.685745D+01  0.107234D+02  0.320987D+01  0.517636D+01  0.554760D+01
      5   0.168335D+01  0.385189D+01  0.333173D+01  0.359091D+01  0.549126D+01
      6   0.219582D+01  0.223411D+02  0.160761D+02  0.452795D+01  0.261934D+02
               171           172           173           174           175 
      1  -0.163589D+02  0.364339D+01 -0.265467D+01  0.583587D+01  0.940781D+00
      2   0.153342D+02 -0.382896D+01  0.299048D+01 -0.105556D+01 -0.978181D+00
      3   0.102471D+01  0.185567D+00 -0.335815D+00 -0.478031D+01  0.374003D-01
      4   0.436634D+01 -0.443780D+00 -0.203183D+01 -0.172108D+01 -0.529113D+00
      5   0.216284D+01  0.212109D+01  0.107593D+00 -0.508799D+00  0.773362D+00
      6   0.149106D+02 -0.161677D+01 -0.169450D+01  0.347831D+01 -0.641564D-02
               176           177           178           179           180 
      1  -0.584258D+01  0.229126D+01  0.665495D+01  0.392173D+01 -0.181687D+02
      2   0.422902D+01 -0.254225D+01 -0.404480D+01 -0.266776D+01 -0.937857D+01
      3   0.161357D+01  0.250988D+00 -0.261014D+01 -0.125397D+01  0.275472D+02
      4  -0.133852D+01  0.231891D+01 -0.706466D+01  0.772991D+01 -0.327076D+01
      5   0.190189D+01 -0.189211D+00  0.783876D+01 -0.633394D+01  0.334939D+02
      6  -0.219856D+01  0.615997D+01 -0.212292D+01  0.920884D+01 -0.262169D+02
               181           182           183           184           185 
      1   0.895365D+02 -0.915535D+01 -0.341300D+01  0.631752D+01  0.407893D+01
      2  -0.460388D+02  0.125845D+01  0.135374D+01 -0.622727D+01  0.646313D+00
      3  -0.434977D+02  0.789690D+01  0.205926D+01 -0.902590D-01 -0.472524D+01
      4  -0.382731D+02  0.164069D+02  0.822284D+00  0.840775D+01 -0.381844D+01
      5   0.223145D+01 -0.473651D+00  0.104338D+02  0.487968D+00 -0.161886D+01
      6   0.181854D+01  0.830251D+00 -0.410592D+01  0.280477D+00  0.111836D+01
               186           187           188           189           190 
      1  -0.733476D+00 -0.791951D+01 -0.168788D+00  0.622375D+01  0.277050D+01
      2   0.127551D+01  0.423927D+01  0.186059D+01 -0.510090D+01  0.921432D+00
      3  -0.542029D+00  0.368024D+01 -0.169181D+01 -0.112285D+01 -0.369193D+01
      4  -0.174964D+01  0.434557D+01 -0.387322D+01 -0.312083D+01 -0.184964D+01
      5   0.815238D+00  0.119718D+02 -0.197345D+01 -0.456133D+00 -0.151384D+01
      6   0.793563D+00 -0.352052D+01  0.189930D+01 -0.602574D+00  0.206650D+01
               191           192           193           194           195 
      1  -0.834222D+01 -0.225910D+01 -0.554804D+01 -0.280723D+02 -0.592924D+01
      2   0.947932D+01  0.215505D+01  0.167614D+01  0.488092D+02  0.997558D+01
      3  -0.113710D+01  0.104047D+00  0.387190D+01 -0.207370D+02 -0.404634D+01
      4  -0.234285D+00  0.134232D+01  0.890196D+01 -0.334169D+02 -0.620250D+01
      5  -0.316949D+00 -0.113903D+01 -0.559490D+00 -0.816685D+01 -0.679274D+01
      6   0.567015D+00  0.244241D+01 -0.260640D+00  0.753550D+01  0.890329D+01
               196           197           198 
      1  -0.410537D+01 -0.685039D+01 -0.749454D+01
      2   0.130288D+01  0.117280D+02  0.637339D+01
      3   0.280248D+01 -0.487761D+01  0.112115D+01
      4   0.505394D+01 -0.111722D+02 -0.472212D+01
      5   0.995571D+00 -0.631983D+01 -0.237326D+01
      6  -0.961308D-01  0.958487D+01  0.469794D+01
 Leave Link  716 at Thu Jul 22 21:37:30 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150095D+03  0.203717D+01 -0.375201D+01
      2   0.203717D+01  0.130704D+03  0.143328D+01
      3  -0.375201D+01  0.143328D+01  0.816134D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.532608D+00  0.120615D+01  0.198913D+01
      2   0.108306D+02 -0.621173D+01  0.131311D+02
      3   0.100738D+01  0.341794D+02  0.559151D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.787551D+02 -0.172570D+02  0.146522D+02
      2   0.406544D+02  0.277668D+01 -0.142564D+02
      3   0.381007D+02  0.144803D+02 -0.395745D+00
      4  -0.293591D+02 -0.335629D+02 -0.114996D+02
      5   0.147162D+02 -0.148544D+02  0.335853D+02
      6  -0.829167D+01 -0.157977D+01  0.839146D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.918991D+00 -0.110507D+01 -0.838668D+00 -0.606693D+01 -0.117270D+00
      2  -0.110507D+01 -0.267575D+01 -0.734057D+00 -0.117270D+00 -0.231148D+01
      3  -0.838668D+00 -0.734057D+00 -0.154595D+01  0.726947D+00  0.538247D+00
                 6             7             8             9            10 
      1   0.726947D+00 -0.148001D+01 -0.968361D-01 -0.365682D+01 -0.534091D+01
      2   0.538247D+00 -0.968361D-01  0.501832D+00 -0.395082D+01  0.880290D+00
      3  -0.274066D+01 -0.365682D+01 -0.395082D+01  0.681326D-01 -0.573913D+00
                11            12            13            14            15 
      1   0.880290D+00 -0.573913D+00  0.210221D+01  0.270928D+01  0.165845D+00
      2  -0.288501D+01 -0.434922D-01  0.270928D+01  0.237040D+01 -0.460821D+00
      3  -0.434922D-01 -0.279626D+01  0.165845D+00 -0.460821D+00  0.872797D+00
                16            17            18            19            20 
      1  -0.582276D+00  0.647918D+00 -0.557359D+01  0.114829D+01 -0.343752D+01
      2   0.647918D+00  0.291847D+00  0.721820D+00 -0.343752D+01 -0.380588D+01
      3  -0.557359D+01  0.721820D+00  0.144512D+01 -0.220396D+00  0.593788D+00
                21            22            23            24            25 
      1  -0.220396D+00  0.558090D+01 -0.524908D+00 -0.100563D+00  0.429827D+00
      2   0.593788D+00 -0.524908D+00  0.549128D+00 -0.469094D+00  0.978613D+00
      3  -0.485127D+00 -0.100563D+00 -0.469094D+00  0.244507D+01 -0.252707D+01
                26            27            28            29            30 
      1   0.978613D+00 -0.252707D+01  0.867549D+00  0.314874D+01 -0.402559D+00
      2  -0.505761D+00  0.364786D+01  0.314874D+01  0.733378D+01 -0.190746D+00
      3   0.364786D+01  0.150706D+01 -0.402559D+00 -0.190746D+00  0.169197D+01
                31            32            33            34            35 
      1   0.130765D+02  0.455656D+01 -0.114015D+01  0.171330D+01 -0.367064D+00
      2   0.455656D+01  0.719347D+01 -0.626522D+00 -0.367064D+00 -0.292452D+00
      3  -0.114015D+01 -0.626522D+00  0.152612D+01  0.157442D+01  0.299965D+01
                36            37            38            39            40 
      1   0.157442D+01  0.171995D+02 -0.189815D+01 -0.226849D+01 -0.643511D+01
      2   0.299965D+01 -0.189815D+01  0.409830D+01  0.527704D-01 -0.326834D+01
      3  -0.312415D-02 -0.226849D+01  0.527704D-01  0.231125D+01  0.151408D-01
                41            42            43            44            45 
      1  -0.326834D+01  0.151408D-01 -0.172789D+01 -0.513357D+00  0.322223D+01
      2  -0.741422D+00  0.545171D+00 -0.513357D+00  0.352511D+00 -0.833999D+00
      3   0.545171D+00  0.278600D+00  0.322223D+01 -0.833999D+00 -0.128655D+01
                46            47            48            49            50 
      1  -0.243075D+01  0.362712D+01  0.363120D+00 -0.643564D+01  0.678319D+00
      2   0.362712D+01  0.239353D+01 -0.363780D+00  0.678319D+00 -0.201801D+01
      3   0.363120D+00 -0.363780D+00  0.927031D+00  0.233869D+00  0.445558D+00
                51            52            53            54            55 
      1   0.233869D+00  0.218528D+00 -0.428881D+00  0.359577D+00 -0.554653D+01
      2   0.445558D+00 -0.428881D+00  0.652116D-01 -0.417751D+01  0.284765D+01
      3  -0.233323D+01  0.359577D+00 -0.417751D+01 -0.133675D+01  0.146130D+01
                56            57            58            59            60 
      1   0.284765D+01  0.146130D+01  0.346339D+01 -0.368684D+01  0.289468D+00
      2  -0.248632D+01  0.265736D+00 -0.368684D+01 -0.207031D+01 -0.164875D+01
      3   0.265736D+00 -0.241816D+01  0.289468D+00 -0.164875D+01  0.752210D+00
                61            62            63            64            65 
      1   0.396119D+01  0.178739D+00 -0.364855D+01 -0.479251D+01 -0.403589D+01
      2   0.178739D+00 -0.234382D+01  0.399258D+00 -0.403589D+01  0.132044D+01
      3  -0.364855D+01  0.399258D+00  0.916179D+01  0.225372D+01  0.729659D+00
                66            67            68            69            70 
      1   0.225372D+01 -0.392071D+01  0.673383D+00  0.955705D+00  0.396079D+01
      2   0.729659D+00  0.673383D+00  0.269997D+01  0.139762D+01  0.184388D+01
      3  -0.148642D+01  0.955705D+00  0.139762D+01  0.471997D+00 -0.270102D+01
                71            72            73            74            75 
      1   0.184388D+01 -0.270102D+01 -0.253336D+01  0.538715D+00 -0.626911D-01
      2   0.164625D+01  0.876551D-01  0.538715D+00 -0.269450D+01  0.107105D+01
      3   0.876551D-01 -0.646467D+01 -0.626911D-01  0.107105D+01 -0.204586D+00
                76            77            78            79            80 
      1  -0.253574D+00 -0.444256D+01  0.112827D+01  0.936687D+00  0.216178D+01
      2  -0.444256D+01 -0.902812D+01 -0.363880D+00  0.216178D+01  0.397237D+00
      3   0.112827D+01 -0.363880D+00 -0.377756D+01 -0.160670D+01 -0.643242D+01
                81            82            83            84            85 
      1  -0.160670D+01 -0.580445D+01 -0.440150D+01  0.208547D+00 -0.418180D+01
      2  -0.643242D+01 -0.440150D+01 -0.377124D+01  0.184855D+00 -0.493138D+01
      3   0.365127D+01  0.208547D+00  0.184855D+00 -0.492599D+00 -0.474183D-01
                86            87            88            89            90 
      1  -0.493138D+01 -0.474183D-01  0.352312D+00  0.170438D+00  0.500278D-01
      2  -0.680064D+01  0.340409D-04  0.170438D+00 -0.283778D-01  0.328091D-01
      3   0.340409D-04 -0.573366D+00  0.500278D-01  0.328091D-01 -0.230028D-02
                91            92            93            94            95 
      1  -0.136938D+02  0.139794D+01  0.145993D+01  0.153566D+01 -0.183193D+01
      2   0.139794D+01 -0.789794D+00 -0.163382D+00 -0.183193D+01  0.538439D+00
      3   0.145993D+01 -0.163382D+00 -0.912958D+00 -0.298131D+00  0.207852D+00
                96            97            98            99           100 
      1  -0.298131D+00  0.170518D+01 -0.321052D+00 -0.105951D+00 -0.227621D+01
      2   0.207852D+00 -0.321052D+00  0.182608D+00  0.524100D-01  0.254036D+01
      3   0.156978D+00 -0.105951D+00  0.524100D-01  0.119368D+00  0.366553D+00
               101           102           103           104           105 
      1   0.254036D+01  0.366553D+00  0.241633D+01 -0.388133D+01 -0.414632D+00
      2  -0.278025D+01 -0.413047D+00 -0.388133D+01  0.935467D+01  0.993826D+00
      3  -0.413047D+00 -0.398509D+00 -0.414632D+00  0.993826D+00  0.842509D+00
               106           107           108           109           110 
      1   0.324619D+00 -0.563048D+00 -0.127093D+00  0.129621D+01 -0.168932D+01
      2  -0.563048D+00  0.116109D+01  0.227973D+00 -0.168932D+01  0.200548D+01
      3  -0.127093D+00  0.227973D+00  0.930034D-01 -0.141625D+00  0.316037D+00
               111           112           113           114           115 
      1  -0.141625D+00 -0.125328D+01  0.174868D+01  0.137068D+00 -0.211554D+00
      2   0.316037D+00  0.174868D+01 -0.956642D+01 -0.973244D+00  0.264504D+00
      3   0.165985D+00  0.137068D+00 -0.973244D+00 -0.780305D+00 -0.479609D-01
               116           117           118           119           120 
      1   0.264504D+00 -0.479609D-01  0.331623D+01 -0.690547D+00 -0.218227D+01
      2  -0.933633D+00 -0.119983D+00 -0.690547D+00  0.747345D+00  0.123340D+00
      3  -0.119983D+00 -0.168733D+00 -0.218227D+01  0.123340D+00  0.197577D+01
               121           122           123           124           125 
      1  -0.116420D+01  0.171651D+01  0.877823D-01 -0.635597D+01  0.629375D+00
      2   0.171651D+01 -0.431361D+00 -0.971988D+00  0.629375D+00 -0.123176D+01
      3   0.877823D-01 -0.971988D+00 -0.369180D+00  0.428123D+01 -0.723583D+00
               126           127           128           129           130 
      1   0.428123D+01 -0.817541D+01 -0.729986D+00  0.143741D+01 -0.441492D+01
      2  -0.723583D+00 -0.729986D+00  0.313313D+01 -0.423468D+00  0.328039D+01
      3  -0.973343D+01  0.143741D+01 -0.423468D+00  0.175682D+01 -0.534082D+00
               131           132           133           134           135 
      1   0.328039D+01 -0.534082D+00  0.229833D+01 -0.126654D+01  0.979775D+00
      2   0.295593D+01  0.279941D+01 -0.126654D+01  0.333867D+01  0.833473D+00
      3   0.279941D+01  0.123924D-01  0.979775D+00  0.833473D+00 -0.654501D+01
               136           137           138           139           140 
      1   0.962786D+01  0.348039D+01 -0.183467D+01  0.299413D+01  0.226716D+01
      2   0.348039D+01  0.200966D+01 -0.659793D+00  0.226716D+01  0.167237D+01
      3  -0.183467D+01 -0.659793D+00  0.134259D+01 -0.638375D+00 -0.779952D+00
               141           142           143           144           145 
      1  -0.638375D+00 -0.425797D+01 -0.149692D+01  0.224742D+01  0.161310D+01
      2  -0.779952D+00 -0.149692D+01 -0.136102D+01  0.897710D+00  0.571992D+00
      3   0.489968D+00  0.224742D+01  0.897710D+00 -0.758299D+00  0.136584D+01
               146           147           148           149           150 
      1   0.571992D+00  0.136584D+01  0.132763D+00  0.483571D+00 -0.179841D+00
      2  -0.183831D-01  0.181933D+00  0.483571D+00 -0.115382D+00  0.680796D+00
      3   0.181933D+00  0.916177D+00 -0.179841D+00  0.680796D+00 -0.437053D+00
               151           152           153           154           155 
      1   0.223392D+01  0.560507D-01  0.304662D+01  0.127907D+01  0.939853D+00
      2   0.560507D-01  0.145439D+01  0.668040D+00  0.939853D+00  0.371960D+00
      3   0.304662D+01  0.668040D+00  0.746421D+01 -0.103027D+01 -0.420127D+00
               156           157           158           159           160 
      1  -0.103027D+01  0.107245D+01  0.201959D+01 -0.711521D+00 -0.315453D+01
      2  -0.420127D+00  0.201959D+01  0.588512D+01 -0.278547D+01 -0.241988D+01
      3   0.403768D+00 -0.711521D+00 -0.278547D+01  0.238384D+01  0.164931D+01
               161           162           163           164           165 
      1  -0.241988D+01  0.164931D+01 -0.379919D+00  0.660105D+00  0.727658D+00
      2  -0.573084D+01  0.522962D+01  0.660105D+00 -0.861270D+00 -0.204097D+00
      3   0.522962D+01 -0.648046D+01  0.727658D+00 -0.204097D+00 -0.186085D+00
               166           167           168           169           170 
      1   0.147695D+01  0.144114D+01  0.225409D+00  0.958004D+00  0.302233D+00
      2   0.144114D+01  0.923114D+01  0.278356D+01  0.302233D+00  0.487251D+01
      3   0.225409D+00  0.278356D+01  0.207064D+01  0.608068D+00  0.364928D+01
               171           172           173           174           175 
      1   0.608068D+00  0.158260D+00  0.763867D-01  0.642346D+00  0.713275D+00
      2   0.364928D+01  0.763867D-01 -0.729224D+00  0.252093D+00 -0.254120D+00
      3   0.202587D+01  0.642346D+00  0.252093D+00 -0.119516D+01  0.111764D+00
               176           177           178           179           180 
      1  -0.254120D+00  0.111764D+00  0.160899D+01 -0.611006D+00  0.735584D+00
      2  -0.557187D+00  0.637274D+00 -0.611006D+00  0.156387D+01 -0.144039D+01
      3   0.637274D+00 -0.434403D-02  0.735584D+00 -0.144039D+01  0.771278D+01
               181           182           183           184           185 
      1   0.132830D+02 -0.212590D+01 -0.260480D+00  0.886229D+00  0.869866D+00
      2  -0.212590D+01  0.144980D+01 -0.745148D-01  0.869866D+00 -0.448564D+00
      3  -0.260480D+00 -0.745148D-01  0.106479D+01  0.768948D-01 -0.350718D+00
               186           187           188           189           190 
      1   0.768948D-01 -0.176949D+01  0.377941D+00  0.127784D+01  0.265692D+00
      2  -0.350718D+00  0.377941D+00 -0.768405D+00 -0.279956D+00 -0.595667D+00
      3   0.123558D+00  0.127784D+01 -0.279956D+00  0.107324D+00 -0.470401D+00
               191           192           193           194           195 
      1  -0.595667D+00 -0.470401D+00 -0.132461D+01  0.494239D+00 -0.894505D-01
      2  -0.136580D+01 -0.807591D-01  0.494239D+00 -0.836174D+01 -0.159891D+01
      3  -0.807591D-01 -0.434341D+00 -0.894505D-01 -0.159891D+01 -0.141099D+01
               196           197           198 
      1  -0.116198D+01  0.473118D+00 -0.373427D-01
      2   0.473118D+00 -0.263198D+01 -0.148889D+01
      3  -0.373427D-01 -0.148889D+01 -0.576594D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.129806D+01 -0.177674D+00 -0.432900D+01  0.117345D+01  0.154319D+00
      2   0.696150D+00  0.111715D+01  0.320694D+01 -0.314194D+00 -0.562689D+00
      3  -0.694403D+01 -0.124175D+02 -0.271615D+00  0.848865D+01 -0.297554D+01
                 6             7             8             9            10 
      1  -0.165923D+01 -0.837875D+01  0.360137D+01  0.152249D+01  0.514846D+00
      2   0.704437D+01 -0.240274D+01  0.120070D+02  0.120695D+01  0.139527D+00
      3   0.157213D+00  0.114657D+01  0.208149D+01 -0.568361D+01  0.436413D+01
                11            12            13            14            15 
      1   0.450035D+00  0.725095D+00  0.121762D+01 -0.133576D+01  0.250895D+01
      2  -0.263631D+00  0.880384D+01 -0.222944D+01 -0.358270D+00 -0.142950D+01
      3  -0.937355D+01 -0.108069D+00  0.129645D+02  0.386462D+01 -0.179187D+01
                16            17            18            19            20 
      1   0.233328D+01  0.123367D+02  0.102820D+01  0.133739D+01 -0.878573D+00
      2   0.880829D+01 -0.331688D+01 -0.312687D+01  0.700791D+00 -0.629677D-01
      3   0.107437D+01 -0.231543D+00  0.242400D+01 -0.324722D+01 -0.158928D+02
                21            22            23            24            25 
      1  -0.408369D+00 -0.115303D+01  0.461783D+00 -0.284379D+01  0.409081D+01
      2  -0.917407D+00  0.100743D+01  0.172538D+01 -0.641313D+01 -0.954488D+01
      3  -0.783523D+00 -0.427511D+00  0.877961D+00 -0.288911D+00  0.106411D+01
                26            27            28            29            30 
      1   0.244864D+01 -0.242478D+00 -0.190532D+01  0.192474D+01 -0.102672D+01
      2  -0.106817D+02 -0.936079D+00 -0.334113D+01 -0.157150D+01 -0.865033D+00
      3   0.113367D+01  0.574819D+01 -0.357093D+01  0.567990D+01  0.165000D+01
                31            32            33            34            35 
      1   0.222790D+01  0.705565D+00 -0.137658D+01 -0.282898D+01  0.658015D+01
      2   0.166030D+01 -0.236824D+01 -0.970339D+00 -0.154927D+02 -0.123993D+01
      3   0.972442D+01  0.231859D+02 -0.139808D+01  0.321667D+01 -0.147198D+01
                36            37            38            39            40 
      1   0.432420D+00  0.904926D+00  0.169357D+01  0.129416D+01  0.246644D+01
      2   0.152775D+01 -0.208243D+01 -0.141448D+01  0.115672D+00 -0.891792D+00
      3   0.344987D+01 -0.910401D+01  0.122941D+02  0.175315D+01  0.110340D+02
                41            42            43            44            45 
      1  -0.164080D+00 -0.467403D+00  0.369901D+01  0.105084D+02 -0.283811D+00
      2   0.495360D+00  0.460282D+00 -0.132990D+02  0.531886D+00  0.125443D+01
      3  -0.757820D+01 -0.149911D+01 -0.754495D+00 -0.607983D+01 -0.248209D+01
                46            47            48            49            50 
      1   0.411450D+00 -0.552897D+00  0.402579D+01 -0.633438D+00 -0.107710D+01
      2  -0.280260D+01  0.204368D+01 -0.244836D+01 -0.747600D-01  0.829504D+00
      3   0.103385D+02 -0.380095D+01 -0.256056D+01  0.714426D+01 -0.703012D+01
                51            52            53            54            55 
      1  -0.336581D+01  0.475869D+01  0.768347D+00 -0.193230D+01 -0.153306D+01
      2   0.193295D+01 -0.147506D+02  0.202519D+01  0.233641D+01 -0.369486D+00
      3   0.491404D-01 -0.452399D+01  0.103507D+01 -0.557535D+01 -0.225495D+01
                56            57            58            59            60 
      1   0.216637D+01 -0.143395D+01  0.299085D+01 -0.117114D+01 -0.127507D+01
      2   0.121139D+01 -0.152759D+01  0.155317D+01 -0.598326D+01  0.111142D+01
      3  -0.291086D+01 -0.130143D+01  0.128570D+02  0.795853D+01  0.437468D+01
                61            62            63            64            65 
      1  -0.339656D+01  0.630463D+01  0.342757D+01 -0.349118D+01 -0.117173D+01
      2  -0.110692D+02  0.831464D+00  0.141747D+02  0.747902D+01  0.359054D+01
      3  -0.406965D+01  0.778988D+01  0.191396D+01  0.876333D+01 -0.134446D+02
                66            67            68            69            70 
      1   0.184915D+01 -0.164844D+01 -0.357641D+01 -0.240477D+01  0.438405D+01
      2  -0.216746D+01  0.434785D+01  0.341813D+01  0.538608D+00 -0.126017D+02
      3   0.164343D+01 -0.858926D+01 -0.531426D+01 -0.344882D+01  0.118965D+01
                71            72            73            74            75 
      1   0.190871D+01  0.592067D+01  0.582543D+00 -0.299757D+01 -0.145607D-01
      2  -0.159225D+01 -0.128772D+02 -0.134232D+01  0.121054D+01  0.159212D+01
      3  -0.471299D+01 -0.329430D+01 -0.826044D+01  0.714317D+00 -0.139639D+01
                76            77            78            79            80 
      1  -0.765400D+00  0.503219D+01  0.742319D+01  0.641741D+01  0.233754D+02
      2   0.301733D+00  0.512434D+00 -0.254964D+01 -0.577946D+01 -0.623103D+01
      3   0.134137D+02 -0.669237D+01  0.385556D+01 -0.691531D+00  0.835621D+01
                81            82            83            84            85 
      1  -0.681902D+01  0.351285D+00  0.379097D+00 -0.240106D+01 -0.136622D+00
      2   0.310091D+01 -0.738087D+00 -0.746931D+00  0.302907D+01 -0.328138D-01
      3   0.148299D+01 -0.137941D+01 -0.483110D+01  0.298044D+00 -0.378440D+01
                86            87            88            89            90 
      1  -0.424241D-01 -0.319544D+01  0.111552D+01  0.152502D+01  0.481411D-01
      2  -0.196735D+00  0.301001D+01 -0.121209D+01 -0.108564D+01 -0.112291D+00
      3  -0.109612D+02  0.102862D+00 -0.309921D+00 -0.710067D+00  0.207088D+00
                91            92            93            94            95 
      1   0.356449D-01 -0.438720D+00  0.645994D+00 -0.236261D+00  0.151831D+00
      2  -0.209888D+01  0.252177D+00  0.616254D+01  0.733755D+00 -0.454102D+00
      3   0.235940D+01 -0.536155D+01 -0.308637D+00 -0.441734D+01  0.185831D+01
                96            97            98            99           100 
      1  -0.445822D+00 -0.501710D+00  0.352561D+00 -0.863322D-01 -0.980734D-01
      2  -0.907296D+00 -0.249695D+01  0.451408D+00 -0.576025D+00 -0.418428D+00
      3   0.598084D+00 -0.486744D+00  0.663691D+00 -0.105068D+00  0.968781D+00
               101           102           103           104           105 
      1   0.191115D+00  0.162430D+01  0.594192D-01  0.424815D+00 -0.428954D+01
      2   0.645819D+00  0.140991D+01  0.433085D+00 -0.182860D+01 -0.264856D+01
      3  -0.286243D+01 -0.382136D+00 -0.119499D+01  0.153022D+02  0.157433D+01
               106           107           108           109           110 
      1  -0.342853D+00  0.164498D+01 -0.411056D+00  0.242680D+00  0.915063D-02
      2  -0.855105D+00  0.537294D+00 -0.264610D+00  0.641935D+00 -0.693919D+00
      3  -0.267575D+00  0.130834D+01 -0.143695D+00 -0.672390D+01  0.567834D+01
               111           112           113           114           115 
      1   0.117799D+01 -0.305313D+00  0.727516D+00 -0.422736D+01 -0.596620D+00
      2   0.211314D+00 -0.934685D+00  0.976167D+00 -0.341072D+00 -0.108521D+01
      3   0.509914D+00  0.839841D+01 -0.125264D+02 -0.120754D+01  0.107585D+01
               116           117           118           119           120 
      1   0.191559D+01 -0.269996D+00 -0.743666D+00 -0.156840D+01  0.902774D+00
      2   0.287718D+00 -0.176448D+00 -0.129533D+01 -0.239423D-01  0.383343D+01
      3  -0.184874D+01  0.739952D-01 -0.117093D+01 -0.360544D+01  0.126416D+01
               121           122           123           124           125 
      1  -0.140477D+01 -0.630090D+00 -0.106666D+01  0.100976D+01  0.276212D+01
      2   0.344708D+00  0.422913D-01 -0.104543D+01  0.240097D+01 -0.543301D+00
      3  -0.266253D+01 -0.950130D+00  0.209662D+01  0.214066D+01  0.233830D+01
               126           127           128           129           130 
      1  -0.374793D+01  0.279110D+01 -0.197175D-01  0.322231D+01 -0.242120D+01
      2  -0.155219D+02  0.845778D+01 -0.233762D+01  0.593272D+01 -0.301809D+01
      3  -0.384682D+00  0.213712D+02 -0.128126D+02 -0.153411D+01 -0.190013D+01
               131           132           133           134           135 
      1   0.948121D+01 -0.149094D+00 -0.148866D+00  0.476400D+01 -0.105632D+02
      2   0.716699D+01  0.198352D+00 -0.616290D+00  0.312633D+01 -0.166279D+02
      3  -0.186197D+02 -0.797223D+01 -0.111225D+01 -0.786407D+01 -0.467252D+01
               136           137           138           139           140 
      1   0.237161D+01  0.601992D+00 -0.255847D+01  0.735518D+00  0.742339D+00
      2  -0.485408D+01 -0.187534D+01  0.600909D+01 -0.180085D+01 -0.189325D+01
      3   0.489271D+01 -0.403653D+01 -0.960863D+00  0.618396D+00 -0.212718D+01
               141           142           143           144           145 
      1  -0.153099D+01 -0.280541D+01  0.121180D+00  0.121211D+01 -0.111556D+01
      2   0.196402D+01  0.418736D+01  0.196763D+01 -0.269553D+01  0.177604D+01
      3   0.122567D+01 -0.233617D+01  0.307158D+01  0.834418D+00 -0.302507D+00
               146           147           148           149           150 
      1   0.194510D+00 -0.139265D+01  0.227904D+00 -0.130354D+01 -0.354337D+00
      2  -0.267182D+00  0.317635D+01 -0.827496D+00  0.111028D+01 -0.829821D+00
      3  -0.147627D+00  0.135995D+01  0.194379D+01  0.223702D+01 -0.151879D+01
               151           152           153           154           155 
      1  -0.373418D+01  0.274594D+01 -0.872593D+01  0.205619D+01  0.362193D+00
      2   0.312333D+01  0.158694D+01  0.165355D+02  0.503559D+00 -0.306118D+00
      3   0.373449D+01 -0.549239D+01  0.204998D+01  0.450138D+01  0.366966D+00
               156           157           158           159           160 
      1  -0.896061D+00  0.159540D+01  0.393680D+01 -0.686328D+01 -0.384348D+01
      2   0.128217D+01 -0.157729D-01 -0.206344D+01  0.209740D+01 -0.277921D+00
      3  -0.223837D+01  0.177321D+01 -0.342650D+00  0.630899D+00 -0.672753D+01
               161           162           163           164           165 
      1  -0.935892D+01  0.146567D+02 -0.106439D+01  0.707346D+00  0.525519D+00
      2   0.426004D+01 -0.532091D+01  0.208312D+00 -0.386755D+00  0.671861D+00
      3  -0.596325D+00 -0.759112D+00 -0.109434D+01 -0.362239D+00  0.166624D+01
               166           167           168           169           170 
      1  -0.180962D+01 -0.807426D+01 -0.766186D+01 -0.183491D+01 -0.827260D+01
      2  -0.257064D+00  0.238604D+01  0.167449D+01 -0.574111D+00  0.254076D+01
      3   0.490545D+01 -0.470478D+01 -0.226640D+01  0.436473D+01 -0.415782D+01
               171           172           173           174           175 
      1  -0.660932D+01  0.845159D+00 -0.531553D+00 -0.187295D+01 -0.110931D+00
      2   0.136022D+01  0.223665D+01  0.532736D+00 -0.243086D+01  0.269383D+00
      3  -0.216724D+01 -0.256025D+00  0.156467D+01 -0.164366D+01  0.122952D+01
               176           177           178           179           180 
      1   0.112746D+01 -0.114805D+01  0.485424D+00  0.134891D+01  0.137482D+02
      2   0.143142D+01 -0.285453D+00 -0.236468D+01 -0.318571D+01  0.195938D+02
      3   0.166399D+01 -0.151247D+01 -0.152852D+01 -0.366651D+01  0.369999D+01
               181           182           183           184           185 
      1  -0.184180D+00  0.159378D+00  0.206709D+01  0.267159D+00 -0.689854D+00
      2  -0.409880D+01 -0.784833D-02  0.625723D+01  0.194840D+00 -0.100681D+01
      3  -0.183215D+02 -0.461235D+01  0.955370D+00 -0.188894D+01  0.296260D-01
               186           187           188           189           190 
      1  -0.462094D+00  0.148251D+01  0.308212D+00  0.252569D+00 -0.101135D+01
      2   0.500268D+00  0.215205D+01 -0.395983D+00  0.186403D+00 -0.127287D+01
      3   0.111093D+01  0.163954D+01  0.190851D+01 -0.101045D+01  0.404800D+01
               191           192           193           194           195 
      1  -0.502652D+00 -0.172638D+01 -0.461974D+00 -0.559753D+01 -0.595216D+01
      2   0.705724D-01 -0.530360D+00 -0.449292D+00 -0.337859D+01 -0.311194D+01
      3   0.482292D+01  0.166645D+01  0.541287D+01  0.238650D+02  0.524689D+01
               196           197           198 
      1  -0.341398D+00 -0.233861D+01 -0.183498D+01
      2  -0.129233D+01 -0.290190D+01 -0.116004D+01
      3   0.216176D+01  0.714555D+01  0.439364D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183482D+01 -0.238080D+02 -0.156779D+01  0.293755D+02  0.557566D+01
      2  -0.612953D+01  0.171146D+02 -0.306659D+00 -0.289591D+02 -0.112016D+02
      3   0.429471D+01  0.669337D+01  0.187445D+01 -0.416361D+00  0.562592D+01
      4  -0.203766D+02  0.562488D+01  0.510615D+01  0.575058D+01 -0.146881D+02
      5   0.124321D+01  0.571468D+01  0.800496D+01 -0.488713D-01 -0.287771D+01
      6   0.477177D+01  0.239719D+01  0.973984D+01 -0.302802D+01  0.643882D+00
                 6             7             8             9            10 
      1   0.441374D+00  0.678547D+01  0.634141D+01  0.239005D+01 -0.100029D+02
      2   0.871664D+00 -0.498836D+01 -0.558405D+01 -0.842533D+01  0.550262D+01
      3  -0.131304D+01 -0.179711D+01 -0.757355D+00  0.603528D+01  0.450025D+01
      4  -0.391462D+01  0.472074D+01 -0.266706D+01  0.169660D+02  0.546364D+01
      5   0.149410D+02  0.241700D+02  0.192683D+02  0.208163D+01  0.102369D+02
      6   0.514729D+01  0.111651D+02  0.159535D+02 -0.232497D+01 -0.701441D+00
                11            12            13            14            15 
      1   0.345739D+01  0.715681D+01 -0.129109D+02 -0.247293D+02 -0.236478D+01
      2  -0.143777D+01 -0.386411D+01  0.106706D+02  0.240759D+02  0.360223D+01
      3  -0.201962D+01 -0.329270D+01  0.224032D+01  0.653398D+00 -0.123745D+01
      4   0.251969D+02 -0.891155D+00 -0.268604D+02  0.826992D+01  0.325949D+01
      5  -0.154803D+01  0.190277D+02 -0.610851D+01  0.260171D+01 -0.310236D+01
      6  -0.125178D+01 -0.193031D+01  0.269942D+01 -0.116105D+01 -0.586459D+01
                16            17            18            19            20 
      1   0.105159D+02 -0.385310D+01  0.154920D+02  0.131471D+02  0.206010D+02
      2  -0.366726D+01  0.267623D+01 -0.207633D+02 -0.128522D+02 -0.140625D+02
      3  -0.684869D+01  0.117687D+01  0.527129D+01 -0.294868D+00 -0.653848D+01
      4  -0.642868D+01 -0.911547D+00 -0.196622D+01  0.981058D+01 -0.131351D+02
      5   0.377948D+02 -0.406073D+01 -0.654097D+01  0.164461D+01 -0.422317D+01
      6  -0.376467D+00  0.425875D+01 -0.153464D+01 -0.228735D+01  0.569132D+01
                21            22            23            24            25 
      1  -0.934503D+00 -0.237216D+02  0.129454D+02  0.127680D+01  0.556920D+00
      2   0.506517D+00  0.221267D+02 -0.214964D+02 -0.420854D+01  0.185103D+01
      3   0.427986D+00  0.159489D+01  0.855101D+01  0.293174D+01 -0.240795D+01
      4  -0.363462D+01  0.904549D+01  0.451010D+01  0.240900D+01 -0.413905D+01
      5  -0.287687D+01 -0.708281D+00  0.281361D+01 -0.127136D+02  0.116073D+02
      6  -0.767465D+00  0.168522D+01 -0.520731D+01  0.718833D+01 -0.779075D+01
                26            27            28            29            30 
      1  -0.198741D+01 -0.411434D+01 -0.867395D+01 -0.264390D+02 -0.503634D+00
      2  -0.299188D+01 -0.557917D+01  0.771568D+01  0.199666D+02 -0.153228D+01
      3   0.497929D+01  0.969352D+01  0.958265D+00  0.647240D+01  0.203592D+01
      4   0.619073D+01 -0.166983D+02 -0.765250D+01 -0.933081D+01 -0.816700D+00
      5  -0.161851D+02 -0.214931D+01 -0.175483D+01 -0.244095D+00 -0.799144D+00
      6   0.141571D+02  0.248776D+01 -0.935238D+00 -0.410208D+01  0.276608D+01
                31            32            33            34            35 
      1  -0.119074D+02 -0.118219D+02 -0.621405D+00  0.181474D+01  0.173896D+00
      2   0.621246D+00  0.115394D+02  0.522668D+00 -0.269518D+01 -0.544174D+00
      3   0.112862D+02  0.282497D+00  0.987369D-01  0.880443D+00  0.370278D+00
      4   0.569645D+01 -0.762987D+01 -0.232770D+01 -0.181384D+01  0.233593D+01
      5  -0.377473D+01 -0.239079D+01  0.300548D+00  0.205869D+01 -0.325375D+01
      6  -0.808030D+01 -0.210171D+01  0.339262D+01  0.229225D+01  0.996284D+01
                36            37            38            39            40 
      1  -0.122181D+02 -0.236809D+02  0.468969D+01 -0.789324D+00 -0.237392D+01
      2   0.204659D+01  0.775929D+01 -0.586406D+00  0.696419D+00  0.515783D+01
      3   0.101715D+02  0.159217D+02 -0.410328D+01  0.929051D-01 -0.278390D+01
      4  -0.184134D+01 -0.699380D+01  0.902268D+01  0.747538D+00 -0.819508D+01
      5   0.206895D+01 -0.944417D+01 -0.327649D+00  0.264705D+01  0.912308D+00
      6  -0.112257D+01  0.386694D+00 -0.226569D+01 -0.169069D+01  0.532407D+01
                41            42            43            44            45 
      1  -0.467359D+00  0.717328D+00  0.467871D+01 -0.195854D+01 -0.892838D+01
      2   0.881429D+01  0.124354D+01 -0.116410D+01  0.230737D+01 -0.271889D+01
      3  -0.834693D+01 -0.196087D+01 -0.351461D+01 -0.348832D+00  0.116473D+02
      4   0.604515D+01  0.313292D+01 -0.175896D+01  0.376547D+01 -0.121015D+01
      5   0.211152D+01 -0.337394D+00  0.332101D+01  0.155049D+01  0.532808D+00
      6   0.124767D+01 -0.807057D+00 -0.903732D+00  0.478763D+01  0.678994D+00
                46            47            48            49            50 
      1   0.568449D+01  0.893516D+01 -0.909451D+00  0.220145D+01  0.770213D+01
      2  -0.371465D+01 -0.956613D+01  0.139724D+01  0.673894D+01 -0.153478D+02
      3  -0.196984D+01  0.630975D+00 -0.487789D+00 -0.894039D+01  0.764565D+01
      4   0.989538D+01 -0.203917D+02 -0.186256D+01  0.165729D+02  0.127127D+02
      5   0.710538D+00 -0.191946D+01 -0.591623D+01  0.194235D+01  0.975863D+00
      6  -0.358957D+01  0.257689D+01 -0.771021D+01  0.790147D+00 -0.496930D+01
                51            52            53            54            55 
      1   0.223787D+01 -0.935857D+00  0.173680D+00 -0.167248D+02  0.180021D+02
      2  -0.379929D+01  0.251030D+01 -0.365137D+01  0.412322D+01 -0.421410D+01
      3   0.156142D+01 -0.157444D+01  0.347769D+01  0.126016D+02 -0.137880D+02
      4   0.493219D+00  0.310500D+01  0.472710D+01  0.680512D+01  0.130833D+02
      5   0.194699D+01  0.146529D+01  0.688745D+01  0.515696D+01  0.618699D+01
      6   0.805208D+01 -0.279887D+01  0.176315D+02  0.529092D+01 -0.123864D+00
                56            57            58            59            60 
      1   0.110969D+01 -0.993075D+00  0.547902D+01 -0.853180D+01  0.160312D+01
      2   0.213710D+01 -0.432776D+01 -0.387723D+00  0.176629D+00  0.946257D+00
      3  -0.324679D+01  0.532083D+01 -0.509130D+01  0.835517D+01 -0.254938D+01
      4  -0.129799D+02  0.382719D+00 -0.245977D+02 -0.567331D+01 -0.824881D+01
      5   0.146122D+01 -0.116582D+02  0.230704D+01 -0.831683D+01  0.382792D+01
      6  -0.386585D+01  0.377714D+01 -0.651841D+01  0.326945D+01 -0.272349D+01
                61            62            63            64            65 
      1  -0.128641D+02  0.257289D+01  0.410606D+01 -0.182556D+02 -0.193581D+02
      2  -0.122840D+02  0.361720D+01  0.122008D+02  0.299963D+01  0.105011D+02
      3   0.251481D+02 -0.619010D+01 -0.163069D+02  0.152560D+02  0.885706D+01
      4   0.910534D+00 -0.132570D+02  0.572345D+01 -0.239044D+02 -0.659776D+01
      5  -0.181916D+02  0.358305D+01  0.383046D+02  0.155057D+02  0.559919D+01
      6   0.640895D+01 -0.215390D+00 -0.872281D+01  0.662213D+01  0.329129D+01
                66            67            68            69            70 
      1   0.934193D+01 -0.206356D+02  0.724201D+00  0.184465D+01  0.156679D+02
      2  -0.172374D+01  0.108430D+02  0.209360D+01  0.768275D+00  0.131150D+00
      3  -0.761819D+01  0.979262D+01 -0.281780D+01 -0.261293D+01 -0.157991D+02
      4   0.669713D+01 -0.384215D+01  0.126047D+02  0.711648D+01  0.141976D+02
      5  -0.812093D+01  0.695253D+01  0.594245D+01  0.142062D+01 -0.151574D+02
      6  -0.338551D+01  0.461500D+01  0.620627D+01  0.157237D+01 -0.747498D+01
                71            72            73            74            75 
      1   0.771954D+01 -0.981510D+01 -0.527515D+01  0.121440D+02 -0.458270D+01
      2  -0.261296D+01  0.166906D+02  0.841659D+01 -0.726245D+01  0.491698D+01
      3  -0.510658D+01 -0.687546D+01 -0.314145D+01 -0.488152D+01 -0.334287D+00
      4   0.954899D+01 -0.753258D+01  0.441931D+01  0.408597D+01  0.314771D+00
      5  -0.301597D+01 -0.285282D+02 -0.142554D+01  0.116870D+01 -0.165219D+01
      6   0.361963D+01 -0.104412D+02  0.162733D+01  0.702810D+01 -0.908475D+00
                76            77            78            79            80 
      1   0.257414D+02  0.327374D+02 -0.298338D+00 -0.110217D+02 -0.308689D+01
      2  -0.197925D+02 -0.348824D+02 -0.783713D+01  0.739419D+01 -0.778472D+01
      3  -0.594893D+01  0.214494D+01  0.813547D+01  0.362753D+01  0.108716D+02
      4   0.157473D+01 -0.700391D+01  0.361138D+00  0.933233D+00  0.341062D+01
      5   0.285482D+01  0.127602D+01 -0.691876D+01 -0.231839D+01 -0.107197D+02
      6   0.573776D+01 -0.516259D+01 -0.221988D+02 -0.122790D+02 -0.423787D+02
                81            82            83            84            85 
      1   0.291799D+02  0.257747D+02  0.163563D+02 -0.343214D+00  0.100985D+02
      2  -0.278137D+02 -0.451008D+01  0.742875D+00  0.102586D+00  0.822448D+01
      3  -0.136622D+01 -0.212646D+02 -0.170992D+02  0.240627D+00 -0.183230D+02
      4  -0.805550D+01  0.391227D+02  0.346424D+02 -0.117748D+01  0.386407D+02
      5   0.833726D+01 -0.516238D+00 -0.709684D+00  0.544991D+01  0.781404D+00
      6   0.173433D+02 -0.124553D+01 -0.125893D+01  0.298862D+01 -0.251741D+00
                86            87            88            89            90 
      1   0.483360D+01  0.179235D+00 -0.197104D+01 -0.142927D+01 -0.106861D+00
      2   0.178944D+02 -0.372328D+00  0.108950D+01  0.114630D+01  0.103603D+01
      3  -0.227280D+02  0.193093D+00  0.881537D+00  0.282963D+00 -0.929167D+00
      4   0.477007D+02 -0.164213D-01 -0.169670D+01 -0.634598D+00  0.199814D+01
      5   0.879119D+00  0.430036D+01  0.129133D+01  0.682239D+00 -0.436704D+00
      6  -0.598140D+00  0.507433D+01  0.106566D+01  0.169474D+01 -0.145369D+00
                91            92            93            94            95 
      1   0.102513D+03 -0.101313D+02 -0.925785D+01 -0.981040D+01  0.105857D+02
      2  -0.598795D+02  0.556456D+01  0.640356D+01  0.472800D+01 -0.529174D+01
      3  -0.426334D+02  0.456674D+01  0.285428D+01  0.508240D+01 -0.529400D+01
      4  -0.145421D+02  0.932033D+01  0.139256D+01  0.174204D+02 -0.491295D+01
      5  -0.134402D+02  0.140077D+01  0.104467D+02  0.248269D+01 -0.174433D+01
      6   0.227132D+00 -0.662271D+00 -0.625913D+00 -0.130048D+01  0.262913D+00
                96            97            98            99           100 
      1   0.147897D+01 -0.123154D+02  0.159700D+01  0.315456D+01  0.571434D+01
      2  -0.107466D+01  0.756027D+01 -0.822534D+00 -0.203597D+01  0.254792D+01
      3  -0.404316D+00  0.475509D+01 -0.774468D+00 -0.111859D+01 -0.826226D+01
      4  -0.182533D+01  0.298273D+01 -0.135198D+01 -0.967034D+00 -0.185225D+02
      5  -0.125835D+01  0.354090D+01 -0.194797D+00 -0.223950D+01 -0.211171D+01
      6   0.190395D+01 -0.333425D+00  0.819321D+00  0.434521D+00  0.187512D+01
               101           102           103           104           105 
      1  -0.466016D+01 -0.540554D+00  0.407787D+00 -0.145369D+02 -0.159487D+01
      2  -0.421204D+01 -0.382918D-01 -0.107424D+02  0.355227D+02  0.253768D+01
      3   0.887221D+01  0.578846D+00  0.103346D+02 -0.209857D+02 -0.942809D+00
      4   0.223857D+02  0.282400D+01  0.255795D+02 -0.479989D+02 -0.484563D+01
      5   0.244258D+01  0.352259D+01  0.240011D+01 -0.369708D+01 -0.434634D+01
      6  -0.225245D+01 -0.236586D+01 -0.267788D+01  0.656726D+01  0.701425D+01
               106           107           108           109           110 
      1  -0.715429D+00 -0.106152D+01 -0.169892D+01 -0.420800D+01  0.777903D+01
      2  -0.775820D+00  0.308904D+01  0.260904D+01  0.650425D+01 -0.971086D+01
      3   0.149125D+01 -0.202752D+01 -0.910128D+00 -0.229625D+01  0.193183D+01
      4   0.417691D+01 -0.597492D+01 -0.198476D+01 -0.351285D+01  0.792630D+01
      5   0.141155D+01 -0.134299D+01 -0.101489D+01  0.367384D+00 -0.237830D-02
      6  -0.159344D+01  0.345306D+01  0.147200D+01  0.125022D+01 -0.232497D+01
               111           112           113           114           115 
      1   0.152270D+01  0.639004D+01 -0.376995D+02 -0.412048D+01  0.104150D+01
      2  -0.111315D+01 -0.838453D+01  0.528551D+02  0.424366D+01 -0.140557D+01
      3  -0.409553D+00  0.199449D+01 -0.151556D+02 -0.123181D+00  0.364073D+00
      4   0.333758D+00  0.587729D+01  0.296268D+01  0.502587D+00  0.361526D+00
      5   0.971063D+00 -0.930861D-01  0.180189D+01  0.471040D+00  0.418469D+00
      6  -0.145980D+01 -0.126504D+01  0.784705D+01  0.717196D+01 -0.319409D+00
               116           117           118           119           120 
      1  -0.359304D+01 -0.169112D+01  0.567134D+01 -0.842802D+00 -0.426395D+01
      2   0.441582D+01  0.222963D+01 -0.884539D+01  0.280922D+00  0.625499D+01
      3  -0.822779D+00 -0.538508D+00  0.317405D+01  0.561880D+00 -0.199105D+01
      4  -0.552432D+00 -0.140305D+01 -0.453609D+01  0.734179D+01  0.176140D+01
      5  -0.549587D+00 -0.591975D+00 -0.118136D+02  0.117889D+01  0.158748D+02
      6   0.321724D+01  0.148105D+01  0.207337D+01  0.127595D+00 -0.183400D+01
               121           122           123           124           125 
      1  -0.428566D+00 -0.177342D+01 -0.320888D+00 -0.135907D+01 -0.944911D+00
      2  -0.677515D+00 -0.511917D+00  0.311499D+00  0.142696D+02 -0.121287D+01
      3   0.110608D+01  0.228534D+01  0.938893D-02 -0.129105D+02  0.215778D+01
      4   0.107035D+02 -0.321034D+01 -0.401081D+01  0.506827D+01 -0.611974D+01
      5   0.199966D+00 -0.395979D+01 -0.155767D+01  0.251466D+02 -0.390565D+01
      6  -0.166357D+01  0.971588D+00  0.811781D+01 -0.439569D+01  0.527930D+01
               126           127           128           129           130 
      1  -0.129446D+02 -0.626398D+02  0.987330D+01  0.427664D+01 -0.310245D+01
      2  -0.233900D+02  0.356486D+02 -0.137047D+02 -0.441464D+01 -0.450886D+01
      3   0.363346D+02  0.269911D+02  0.383142D+01  0.137996D+00  0.761130D+01
      4  -0.402006D+01  0.145424D+02  0.149169D+02 -0.379256D+01  0.225339D+02
      5  -0.406204D+02  0.536817D+01 -0.185423D+01  0.867690D+01 -0.423925D+01
      6   0.915253D+01 -0.704766D+01  0.287469D+01 -0.586293D+01  0.477012D+01
               131           132           133           134           135 
      1   0.245595D+02  0.536234D+01  0.100155D+02  0.266075D+01  0.160860D+02
      2  -0.275460D+02 -0.115969D+02 -0.115285D+01 -0.126292D+02  0.221636D+00
      3   0.298645D+01  0.623451D+01 -0.886263D+01  0.996841D+01 -0.163077D+02
      4   0.392986D+01  0.130521D+02 -0.102411D+02  0.153158D+02 -0.228759D+01
      5   0.154666D+02  0.231351D+00  0.686574D+01  0.217411D+01 -0.274587D+02
      6  -0.138151D+02 -0.588158D-01 -0.412944D+01 -0.170615D+01  0.182062D+02
               136           137           138           139           140 
      1   0.510237D+02  0.149148D+02 -0.954007D+01  0.113481D+02  0.594877D+01
      2  -0.228789D+02 -0.371273D+01  0.423938D+01 -0.126837D+01  0.277793D+01
      3  -0.281448D+02 -0.112021D+02  0.530069D+01 -0.100798D+02 -0.872670D+01
      4   0.361807D+02  0.207594D+02 -0.692537D+01  0.208579D+02  0.141226D+02
      5  -0.143404D+02 -0.467132D+01  0.109090D+02 -0.433676D+01 -0.513858D+01
      6  -0.594224D+01 -0.307498D+01  0.448029D+01 -0.327675D+01 -0.319382D+01
               141           142           143           144           145 
      1  -0.159605D+01 -0.159241D+02 -0.329879D+01  0.743253D+01  0.717910D+01
      2  -0.675082D+00  0.835778D+01  0.101108D+00 -0.614777D+01 -0.626901D+01
      3   0.227113D+01  0.756629D+01  0.319768D+01 -0.128476D+01 -0.910088D+00
      4  -0.564083D+01 -0.129791D+02 -0.978921D+01  0.830936D+01  0.549683D+01
      5   0.346751D+01  0.158780D+02  0.612534D+01 -0.707606D+01  0.826439D+01
      6   0.320656D+01  0.736689D+01  0.403675D+01 -0.352232D+01  0.247444D+01
               146           147           148           149           150 
      1   0.373477D+01  0.476497D+01  0.279094D+00 -0.119273D+01 -0.154533D+01
      2  -0.219159D+01 -0.484894D+01  0.147217D+01 -0.117323D+01  0.232884D+01
      3  -0.154318D+01  0.839731D-01 -0.175126D+01  0.236597D+01 -0.783509D+00
      4   0.268887D+01  0.234281D+01  0.389523D+01 -0.845881D+00  0.366233D+01
      5   0.732522D+00  0.954088D+01 -0.141697D+01  0.343344D+01 -0.238188D+01
      6   0.117191D+01  0.177700D+01  0.135971D+01  0.981789D+00  0.500783D+01
               151           152           153           154           155 
      1   0.834492D+01 -0.217981D+01 -0.142189D+01  0.646528D+00  0.298164D+00
      2  -0.118076D+02  0.155933D+01 -0.191190D+02 -0.129442D+01 -0.120467D+00
      3   0.346266D+01  0.620477D+00  0.205409D+02  0.647887D+00 -0.177697D+00
      4   0.500543D+01  0.780835D+01  0.711892D+01  0.354723D+01  0.733509D+01
      5   0.188174D+02  0.370325D+01  0.354401D+02 -0.234360D+01 -0.393470D+01
      6   0.662674D+01  0.468542D+01  0.156843D+02 -0.627453D+01 -0.231785D+01
               156           157           158           159           160 
      1  -0.324619D+00 -0.591584D+01 -0.248992D+02  0.119175D+02  0.527914D+01
      2  -0.389459D+00  0.702564D+01  0.284163D+02 -0.110188D+02 -0.375974D+01
      3   0.714078D+00 -0.110980D+01 -0.351707D+01 -0.898685D+00 -0.151940D+01
      4  -0.548395D+01  0.580372D+01  0.899252D+01 -0.448773D+01 -0.991585D+01
      5   0.637006D+01 -0.249197D+01 -0.514523D+01  0.454394D+01  0.757835D+01
      6   0.210260D+01 -0.488049D+01 -0.191519D+02  0.184838D+02  0.107184D+02
               161           162           163           164           165 
      1   0.243814D+02 -0.267876D+02 -0.278244D+00  0.421459D+01  0.232123D+01
      2  -0.192596D+02  0.131986D+02  0.237610D+01 -0.482647D+01 -0.191054D+01
      3  -0.512179D+01  0.135890D+02 -0.209785D+01  0.611879D+00 -0.410688D+00
      4  -0.100766D+02  0.779301D+01  0.108239D+01  0.775139D+01  0.367132D+01
      5   0.104272D+02 -0.118449D+02  0.107161D+01  0.185245D+01  0.240932D+01
      6   0.345610D+02 -0.357734D+02  0.457096D+01 -0.148491D+01 -0.905212D+00
               166           167           168           169           170 
      1  -0.358265D+01 -0.372605D+02 -0.111811D+02  0.277199D+00 -0.200854D+02
      2   0.535795D+01  0.538724D+02  0.164086D+02  0.154061D+01  0.263046D+02
      3  -0.177530D+01 -0.166119D+02 -0.522748D+01 -0.181781D+01 -0.621919D+01
      4   0.685745D+01  0.107234D+02  0.320987D+01  0.517636D+01  0.554760D+01
      5   0.168335D+01  0.385189D+01  0.333173D+01  0.359091D+01  0.549126D+01
      6   0.219582D+01  0.223411D+02  0.160761D+02  0.452795D+01  0.261934D+02
               171           172           173           174           175 
      1  -0.163589D+02  0.364339D+01 -0.265467D+01  0.583587D+01  0.940781D+00
      2   0.153342D+02 -0.382896D+01  0.299048D+01 -0.105556D+01 -0.978181D+00
      3   0.102471D+01  0.185567D+00 -0.335815D+00 -0.478031D+01  0.374003D-01
      4   0.436634D+01 -0.443780D+00 -0.203183D+01 -0.172108D+01 -0.529113D+00
      5   0.216284D+01  0.212109D+01  0.107593D+00 -0.508799D+00  0.773362D+00
      6   0.149106D+02 -0.161677D+01 -0.169450D+01  0.347831D+01 -0.641564D-02
               176           177           178           179           180 
      1  -0.584258D+01  0.229126D+01  0.665495D+01  0.392173D+01 -0.181687D+02
      2   0.422902D+01 -0.254225D+01 -0.404480D+01 -0.266776D+01 -0.937857D+01
      3   0.161357D+01  0.250988D+00 -0.261014D+01 -0.125397D+01  0.275472D+02
      4  -0.133852D+01  0.231891D+01 -0.706466D+01  0.772991D+01 -0.327076D+01
      5   0.190189D+01 -0.189211D+00  0.783876D+01 -0.633394D+01  0.334939D+02
      6  -0.219856D+01  0.615997D+01 -0.212292D+01  0.920884D+01 -0.262169D+02
               181           182           183           184           185 
      1   0.895365D+02 -0.915535D+01 -0.341300D+01  0.631752D+01  0.407893D+01
      2  -0.460388D+02  0.125845D+01  0.135374D+01 -0.622727D+01  0.646313D+00
      3  -0.434977D+02  0.789690D+01  0.205926D+01 -0.902590D-01 -0.472524D+01
      4  -0.382731D+02  0.164069D+02  0.822284D+00  0.840775D+01 -0.381844D+01
      5   0.223145D+01 -0.473651D+00  0.104338D+02  0.487968D+00 -0.161886D+01
      6   0.181854D+01  0.830251D+00 -0.410592D+01  0.280477D+00  0.111836D+01
               186           187           188           189           190 
      1  -0.733476D+00 -0.791951D+01 -0.168788D+00  0.622375D+01  0.277050D+01
      2   0.127551D+01  0.423927D+01  0.186059D+01 -0.510090D+01  0.921432D+00
      3  -0.542029D+00  0.368024D+01 -0.169181D+01 -0.112285D+01 -0.369193D+01
      4  -0.174964D+01  0.434557D+01 -0.387322D+01 -0.312083D+01 -0.184964D+01
      5   0.815238D+00  0.119718D+02 -0.197345D+01 -0.456133D+00 -0.151384D+01
      6   0.793563D+00 -0.352052D+01  0.189930D+01 -0.602574D+00  0.206650D+01
               191           192           193           194           195 
      1  -0.834222D+01 -0.225910D+01 -0.554804D+01 -0.280723D+02 -0.592924D+01
      2   0.947932D+01  0.215505D+01  0.167614D+01  0.488092D+02  0.997558D+01
      3  -0.113710D+01  0.104047D+00  0.387190D+01 -0.207370D+02 -0.404634D+01
      4  -0.234285D+00  0.134232D+01  0.890196D+01 -0.334169D+02 -0.620250D+01
      5  -0.316949D+00 -0.113903D+01 -0.559490D+00 -0.816685D+01 -0.679274D+01
      6   0.567015D+00  0.244241D+01 -0.260640D+00  0.753550D+01  0.890329D+01
               196           197           198 
      1  -0.410537D+01 -0.685039D+01 -0.749454D+01
      2   0.130288D+01  0.117280D+02  0.637339D+01
      3   0.280248D+01 -0.487761D+01  0.112115D+01
      4   0.505394D+01 -0.111722D+02 -0.472212D+01
      5   0.995571D+00 -0.631983D+01 -0.237326D+01
      6  -0.961308D-01  0.958487D+01  0.469794D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.228478D+00      0.580733D+00      0.193712D+01
   y          0.849445D-01      0.215907D+00      0.720189D+00
   z         -0.465018D-01     -0.118196D+00     -0.394258D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.137958D+03      0.204432D+02      0.227462D+02
   yx         0.163919D+01      0.242903D+00      0.270266D+00
   yy         0.121490D+03      0.180029D+02      0.200309D+02
   zx        -0.354524D+01     -0.525350D+00     -0.584531D+00
   zy         0.151232D+01      0.224103D+00      0.249348D+00
   zz         0.749665D+02      0.111089D+02      0.123603D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120804D+03      0.179013D+02      0.199179D+02
   aniso      0.616334D+02      0.913313D+01      0.101620D+02
   xx         0.150095D+03      0.222418D+02      0.247473D+02
   yx         0.203717D+01      0.301877D+00      0.335883D+00
   yy         0.130704D+03      0.193684D+02      0.215502D+02
   zx        -0.375201D+01     -0.555990D+00     -0.618622D+00
   zy         0.143328D+01      0.212391D+00      0.236316D+00
   zz         0.816134D+02      0.120939D+02      0.134562D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.56469655          1.00365449         -4.55743152
     6         -1.20986827         -1.54511696         -4.60129481
     6         -1.30345256         -2.93267351         -2.36616220
     6         -0.73934845         -1.74384953         -0.09972884
     6         -0.09110474          0.81339270         -0.05371423
     6         -0.00390573          2.19672292         -2.27856556
     6          0.40639081          1.68329970          2.62667135
     6          0.80348043         -0.84403721          4.03702730
     6         -0.73210609         -2.81674549          2.54175414
     1         -0.48852925          2.06263104         -6.30614058
     1         -1.63120726         -2.45621651         -6.38386003
     1         -1.79798374         -4.91928057         -2.40719885
     1          0.50546046          4.17909947         -2.25955092
     1         -1.32533153          2.57546650          3.34296304
     6          2.57573924          3.55181208          2.93253577
     1          0.27173336         -0.73516801          6.02457714
     1          2.80931069         -1.33543593          3.95290119
     1         -2.66869843         -2.94366091          3.26328352
     1          0.07298243         -4.71211499          2.64459003
     1          4.32875066          2.75645476          2.18752716
     1          2.87317206          4.01252755          4.92196496
     1          2.20357921          5.31694588          1.93240411

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.248154D+00      0.630743D+00      0.210393D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.805435D+02      0.119353D+02      0.132798D+02
   yx         0.137380D+02      0.203576D+01      0.226508D+01
   yy         0.117992D+03      0.174846D+02      0.194542D+02
   zx         0.986082D+01      0.146122D+01      0.162583D+01
   zy         0.120081D+01      0.177942D+00      0.197987D+00
   zz         0.135879D+03      0.201351D+02      0.224034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120804D+03      0.179013D+02      0.199179D+02
   aniso      0.616334D+02      0.913313D+01      0.101620D+02
   xx         0.876899D+02      0.129943D+02      0.144581D+02
   yx         0.146666D+02      0.217337D+01      0.241820D+01
   yy         0.126910D+03      0.188061D+02      0.209246D+02
   zx         0.108224D+02      0.160371D+01      0.178437D+01
   zy         0.152768D+01      0.226378D+00      0.251880D+00
   zz         0.147813D+03      0.219036D+02      0.243711D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-34\Freq\RB3LYP\Gen\C10H12\PIERPA\22-Jul-2021\0\\#P B3
 LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,M
 axCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculatio
 ns.\\0,1\C,-2.164986,-1.22492,-0.005005\C,-2.64202,0.073409,0.14669\C,
 -1.762079,1.153232,0.130794\C,-0.405452,0.917524,-0.034454\C,0.074285,
 -0.384887,-0.1864\C,-0.802207,-1.459935,-0.173869\C,1.57772,-0.384146,
 -0.367381\C,1.970002,1.020984,0.144037\C,0.731931,1.906712,-0.098518\H
 ,-2.85672,-2.057467,0.013689\H,-3.702276,0.24425,0.283207\H,-2.135971,
 2.162786,0.253773\H,-0.437393,-2.473544,-0.28667\H,1.78987,-0.436688,-
 1.443748\C,2.317593,-1.524644,0.320775\H,2.87317,1.403772,-0.331853\H,
 2.163642,0.958387,1.218672\H,0.772481,2.369953,-1.090624\H,0.637692,2.
 716269,0.626868\H,2.108272,-1.526468,1.392826\H,3.39662,-1.425796,0.18
 4958\H,2.021897,-2.495429,-0.08111\\Version=ES64L-G16RevA.03\State=1-A
 \HF=-388.4843583\RMSD=4.061e-09\RMSF=3.841e-06\ZeroPoint=0.1920584\The
 rmal=0.2003641\Dipole=0.228478,0.0849445,-0.0465018\DipoleDeriv=-0.044
 5121,0.0259601,-0.0107133,0.0950944,0.0385571,0.0000125,-0.0031683,0.0
 095673,-0.1496511,0.0317622,-0.005505,-0.0306018,-0.0777093,-0.0579125
 ,0.02015,-0.0232514,0.0103602,-0.1459145,-0.0148712,-0.1006101,-0.0178
 892,-0.0724145,0.0820454,0.0262812,-0.0127363,0.0387885,-0.1167244,-0.
 0406253,0.1386755,-0.0087303,0.2694627,0.083241,-0.0307233,-0.0325241,
 -0.0599753,-0.0719053,0.1520604,-0.0207145,-0.0312528,-0.1408522,-0.20
 29374,0.0264987,-0.1483051,0.0226858,-0.0566644,-0.0536492,-0.0095887,
 -0.0086306,-0.0303946,0.1011677,0.0235334,0.0048092,0.0083317,-0.11649
 14,0.103403,-0.051312,0.0107282,-0.011916,0.1404013,-0.0246409,0.04991
 34,-0.0199535,0.1683697,0.1444418,0.0647528,-0.04897,0.0573661,-0.0174
 705,-0.037923,-0.0106951,-0.012024,0.1395101,0.039401,-0.0061441,0.002
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      TO SUSPECT YOUR OWN MORTALITY IS TO KNOW THE BEGINNING OF TERROR.
      TO LEARN IRREFUTABLY THAT YOU ARE MORTAL IS TO KNOW THE END
      OF TERROR.

                                                  -- JESSICA
                                                     CHILDREN OF DUNE
                                                     BY FRANK HERBERT
 Job cpu time:       0 days  9 hours 11 minutes 44.5 seconds.
 Elapsed time:       0 days  1 hours  9 minutes  8.8 seconds.
 File lengths (MBytes):  RWF=    560 Int=      0 D2E=      0 Chk=     19 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 21:37:31 2021.
